chempirical

2-Chloro-6-methoxypyridine-3-carboxylic acid

C7H6ClNO3CAS 503000-87-1187.58 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

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

Identifiers

CAS number
503000-87-1
SMILES
COC1=NC(=C(C=C1)C(=O)O)Cl
InChIKey
JPBUYRWPJMVZKX-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO3/c1-12-5-3-2-4(7(10)11)6(8)9-5/h2-3H,1H3,(H,10,11)

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Names and synonyms

1 names
  • 2-Chloro-6-methoxynicotinic acid

Work with 2-Chloro-6-methoxypyridine-3-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-Chloro-6-methylnicotinic acid30529-70-561 % similar 2,6-Dichloronicotinic acid38496-18-359 % similar 6-Methoxypicolinic acid26893-73-256 % similar 2-Chloro-6-trifluoromethylnicotinic acid280566-45-252 % similar 2-Chloro-4-methoxybenzoic acid21971-21-150 % similar 6-Methoxypyridazine-3-carboxylic acid56434-28-750 % similar 4-Chloro-2-methoxybenzoic acid57479-70-650 % similar 2-Chloro-3,4-dimethoxybenzoic acid52009-53-749 % 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 2-Chloro-6-methoxypyridine-4-carboxylic acid15855-06-8 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 4-Chloro-3-nitrobenzenemethanol55912-20-4

Elsewhere

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