5-Chloropyridine-2-carboxaldehyde

C6H4ClNOCAS 31181-89-2141.55 g/mol

Open in Covalent MOL file
NClO
AldehydeAryl halide

Properties

Molecular formula
C6H4ClNO
Molar mass
141.55 g/mol
Exact mass
140.9981 Da
logP
1.55Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
31181-89-2
SMILES
C1=CC(=NC=C1Cl)C=O
InChIKey
YYLBDBOSXXSZQQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClNO/c7-5-1-2-6(4-9)8-3-5/h1-4H

Weigh it out

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Names and synonyms

1 names
  • 5-Chloro-2-formylpyridine

Work with 5-Chloropyridine-2-carboxaldehyde

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

5-Bromopyridine-2-carbaldehyde31181-90-553 % similar 4-Chlorobenzaldehyde104-88-152 % similar 5-(Trifluoromethyl)pyridine-2-carbaldehyde31224-82-550 % similar 5-Chloropyrazine-2-carbaldehyde88625-24-550 % similar 5-Methoxypicolinaldehyde22187-96-848 % similar 2,5-Dichloropyridine16110-09-146 % similar 2,5-Dichloro-pyridine-3-carbaldehyde176433-49-145 % similar 5-Chloro-2-(chloromethyl)pyridine10177-24-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4-pyridinecarboxaldehyde101066-61-9 4-Chloropyridine-3-carboxaldehyde114077-82-6 2-Chloropyridine-5-carbaldehyde23100-12-1 2-Chloro-3-pyridinecarboxaldehyde36404-88-3 6-Chloropyridine-2-carbaldehyde54087-03-5 4-Chloropicolinaldehyde63071-13-6 3-Chloro-4-pyridinecarboxaldehyde72990-37-5

Elsewhere

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