4,6-Dichloropyridine-3-carbaldehyde

C₆H₃Cl₂NOCAS 1060811-62-2176.00 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
logP: 2.20Crippen estimate
Polar surface area: 30.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

1060811-62-2

SMILES

C1=C(C(=CN=C1Cl)C=O)Cl

InChIKey

AKYJFAHYRMPRDS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4,6-Dichloronicotinaldehyde

Work with 4,6-Dichloropyridine-3-carbaldehyde

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

2,4,5-Trichloropyridine55934-01-554 % similar 2-Chloro-4,5-difluorobenzaldehyde165047-23-450 % similar 4-Chloropyridine-3-carboxaldehyde114077-82-648 % similar 2,4-Dichloro-5-methylpyridine56961-78-547 % similar 4,6-Dichloropyridin-3-amine7321-93-947 % similar 5-Bromo-2,4-dichloro-pyridine849937-96-847 % similar 5-Chloropyrazine-2-carbaldehyde88625-24-547 % similar 2-Chloropyridine-5-carbaldehyde23100-12-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 2,6-Dichloro-3-pyridinecarboxaldehyde55304-73-9 6-Chloronicotinoyl chloride58757-38-3 2-Chloropyridine-4-carbonyl chloride65287-34-5

Elsewhere

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