2,6-Dichloro-3-pyridinecarboxaldehyde

C₆H₃Cl₂NOCAS 55304-73-9176.00 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₆H₃Cl₂NO
Molar mass: 176.00 g/mol
Exact mass: 174.9592 Da
Melting point: 80–83 °C
Boiling point: 95 °C (at 3 Torr)
logP: 2.20Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction97.6% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

55304-73-9

SMILES

O=Cc1ccc(Cl)nc1Cl

InChIKey

HWTMRGXKSANEDO-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl2NO/c7-5-2-1-4(3-10)6(8)9-5/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

3-Pyridinecarboxaldehyde, 2,6-dichloro-
2,6-Dichloro-3-formylpyridine
2,6-Dichloropyridyl-3-carboxaldehyde
2,6-Dichloronicotinaldehyde
2,6-Dichloropyridine-3-carbaldehyde

Work with 2,6-Dichloro-3-pyridinecarboxaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Chloro-3-formyl-2-picoline884495-36-761 % similar 6-Chloro-2-methoxy-3-pyridinecarboxaldehyde95652-81-656 % similar 2-Chloro-3-pyridinecarboxaldehyde36404-88-350 % similar 2,4-Dichloropyrimidine-5-carbaldehyde871254-61-450 % similar 6-Chloropyridine-2-carbaldehyde54087-03-548 % similar 2,3,6-Trichloropyridine6515-09-948 % similar 2-Chloro-3-quinolinecarboxaldehyde73568-25-947 % similar 2,6-Dichloro-3-iodopyridine148493-37-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,6-Dichloropyridine-3-carbaldehyde1060811-62-2 2,6-Dichloropyridine-4-carboxaldehyde113293-70-2 2,4-Dichloropyridine-3-carbaldehyde134031-24-6 3,5-Dichloro-4-formyl pyridine136590-83-5 2,5-Dichloro-pyridine-3-carbaldehyde176433-49-1 2-Chloronicotinoyl chloride49609-84-9 6-Chloronicotinoyl chloride58757-38-3 2-Chloropyridine-4-carbonyl chloride65287-34-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook