2-Chloro-6-methoxypyridine-4-carboxylic acid

C7H6ClNO3CAS 15855-06-8187.58 g/mol

Open in Covalent MOL file
ONOOHCl
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C7H6ClNO3
Molar mass
187.58 g/mol
Exact mass
187.0036 Da
logP
1.44Crippen estimate
Polar surface area
59.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
15855-06-8
SMILES
COC1=NC(=CC(=C1)C(=O)O)Cl
InChIKey
PJQBTHQTVJMCFX-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO3/c1-12-6-3-4(7(10)11)2-5(8)9-6/h2-3H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

1 names
  • 2-Chloro-6-methoxyisonicotinic acid

Work with 2-Chloro-6-methoxypyridine-4-carboxylic acid

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-Dichloroisonicotinic acid5398-44-767 % similar 2-Chloro-6-methoxyisonicotinoyl chloride116853-97-566 % similar 2-Chloro-6-methylpyridine-4-carboxylic acid25462-85-561 % similar 2-Methoxy-4-pyridinecarboxylic acid105596-63-255 % similar 3,5-Dimethoxybenzoic acid1132-21-451 % similar 5-Methoxyisophthalic acid46331-50-451 % similar 2,6-Dimethoxypyrimidine-4-carboxylic acid59864-30-151 % similar 3-Chloro-5-methoxybenzoic acid82477-67-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-2-methoxy-4-nitrobenzene1009-36-5 1-Chloro-4-methoxy-2-nitrobenzene10298-80-3 4-Chloro-2-nitrobenzenemethanol22996-18-5 2-(Chloromethyl)-4-nitrophenol2973-19-5 2-Chloro-6-methyl-3-nitrophenol39183-20-5 2-Chloro-1-methoxy-4-nitrobenzene4920-79-0 2-Chloro-6-methoxypyridine-3-carboxylic acid503000-87-1 4-Chloro-3-nitrobenzenemethanol55912-20-4

Elsewhere

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