4-Amino-2-chloronicotinaldehyde

C₆H₅ClN₂OCAS 338452-92-9156.57 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Primary amine

Properties

Molecular formula: C₆H₅ClN₂O
Molar mass: 156.57 g/mol
Exact mass: 156.0090 Da
logP: 1.13Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

338452-92-9

SMILES

C1=CN=C(C(=C1N)C=O)Cl

InChIKey

TYTVKBHUNQMVRB-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClN2O/c7-6-4(3-10)5(8)1-2-9-6/h1-3H,(H2,8,9)

Weigh it out

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

Work with 4-Amino-2-chloronicotinaldehyde

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-Dichloropyridine-3-carbaldehyde134031-24-663 % similar 2-Chloro-4-iodopyridine-3-carbaldehyde153034-90-359 % similar 2-Chloropyridine-3,4-diamine39217-08-853 % similar 4,6-Dichloro-5-pyrimidinecarbaldehyde5305-40-852 % similar 3-Bromo-2-chloropyridin-4-amine215364-85-550 % similar 2-Chloro-3-fluoro-4-formylpyridine329794-28-750 % similar 2-Chloro-3-iodopyridin-4-amine909036-46-050 % similar 2,3-Dichloropyridine-4-carboxaldehyde884495-41-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloroisonicotinamide100859-84-5 2-Chloronicotinamide10366-35-5 5-Chloropyridine-2-carboxamide370104-72-6 6-Chloronicotinamide6271-78-9

Elsewhere

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