6-Chloro-2-methoxy-3-pyridinecarboxaldehyde

C₇H₆ClNO₂CAS 95652-81-6171.58 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₇H₆ClNO₂
Molar mass: 171.58 g/mol
Exact mass: 171.0087 Da
Melting point: 62–64 °C
Boiling point: 90 °C (at 3 Torr)
logP: 1.56Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

95652-81-6

SMILES

COc1nc(Cl)ccc1C=O

InChIKey

AVBARORPQMEWPR-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClNO2/c1-11-7-5(4-10)2-3-6(8)9-7/h2-4H,1H3

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Names and synonyms

3 names

3-Pyridinecarboxaldehyde, 6-chloro-2-methoxy-
6-Chloro-3-formyl-2-methoxypyridine
6-Chloro-2-methoxynicotinaldehyde

Work with 6-Chloro-2-methoxy-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

2,6-Dichloro-3-pyridinecarboxaldehyde55304-73-956 % similar 2-Chloro-3,4-dimethoxybenzaldehyde5417-17-445 % similar 2,3,4-Trimethoxybenzaldehyde2103-57-343 % similar 5-Chloro-2-methoxybenzaldehyde7035-09-843 % similar 2-Chloro-6-methoxypyridine17228-64-742 % similar 2-Chloro-6-methoxyquinoline-3-carboxaldehyde73568-29-341 % similar 4-Methoxy-2,3-dimethylbenzaldehyde38998-17-341 % similar 6-Methoxy-2-pyridinecarboxaldehyde54221-96-441 % similar

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

Same formula

4-Nitrobenzyl chloride100-14-1 2-Chloro-4-nitrotoluene121-86-8 1-Chloro-2-methyl-4-nitrobenzene13290-74-9 2-Amino-6-chlorobenzoic acid2148-56-3 3-Amino-5-chlorobenzoic acid21961-30-8 4-Amino-2-chlorobenzoic acid2457-76-3 4-Amino-3-chlorobenzoic acid2486-71-7 3-Amino-4-chlorobenzoic acid2840-28-0

Elsewhere

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