chempirical

5-Choro-6-methoxynicotinic acid

C7H6ClNO3CAS 884494-85-3187.58 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
884494-85-3
SMILES
COC1=C(C=C(C=N1)C(=O)O)Cl
InChIKey
FUBFUAARMGZWPE-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClNO3/c1-12-6-5(8)2-4(3-9-6)7(10)11/h2-3H,1H3,(H,10,11)

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Names and synonyms

1 names
  • 5-Chloro-6-methoxypyridine-3-carboxylic acid

Work with 5-Choro-6-methoxynicotinic 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

5,6-Dichloronicotinic acid41667-95-261 % similar 3-Chloro-4-methoxybenzoic acid37908-96-656 % similar 3-Chloro-4-hydroxy-5-methoxybenzoic acid62936-23-653 % similar 4-Chloro-3-methoxybenzoic acid85740-98-352 % similar 6-Methoxynicotinic acid66572-55-251 % similar 5-Bromo-2-methoxy-3-pyridinecarboxylic acid54916-66-451 % similar 5-Fluoro-2-methoxynicotinic acid884494-82-051 % similar 2-Methoxy-3-chloro-5-bromopyridine848366-28-950 % 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 2-Chloro-6-methoxypyridine-3-carboxylic acid503000-87-1

Elsewhere

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