3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid

C13H10ClFN2O3 — CID 43381012

IUPAC3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
SMILESCOc1ccc(Nc2ccc(Cl)c(C(=O)O)n2)cc1F
InChIInChI=1S/C13H10ClFN2O3/c1-20-10-4-2-7(6-9(10)15)16-11-5-3-8(14)12(17-11)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyQCXSXAMJSIEJGF-UHFFFAOYSA-N
MW296.69 g/mol
LogP3.32
Rot. Bonds4

About 3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid

3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid (PubChem CID 43381012) has the molecular formula C13H10ClFN2O3 and a molecular weight of 296.69 g/mol. Its IUPAC name is 3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
PubChem CID43381012
Molecular FormulaC13H10ClFN2O3
Molecular Weight296.69 g/mol
Exact Mass296.04
IUPAC Name3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid
SMILESCOc1ccc(Nc2ccc(Cl)c(C(=O)O)n2)cc1F
InChIInChI=1S/C13H10ClFN2O3/c1-20-10-4-2-7(6-9(10)15)16-11-5-3-8(14)12(17-11)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyQCXSXAMJSIEJGF-UHFFFAOYSA-N
XLogP3.32
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.69
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3-fluoro-4-methoxyphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62169174
6-(3-bromo-4-fluoroanilino)-3-chloropyridine-2-carboxylic acid
CID 104779776
5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629868
6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid
CID 29038766
3-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-2-carboxylic acid
CID 107645085
3-chloro-6-(4-propan-2-yloxyanilino)pyridine-2-carboxylic acid
CID 28969994
3-chloro-6-(4-iodoanilino)pyridine-2-carboxylic acid
CID 28976726
2-chloro-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid
CID 114840067
6-(3-bromo-4-iodoanilino)-3-chloropyridine-2-carboxylic acid
CID 114262232
6-(4-bromo-3,5-dimethylanilino)-3-chloropyridine-2-carboxylic acid
CID 107575433
6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 80936780
3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107528825

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid (CID 43381012) is 3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid is COc1ccc(Nc2ccc(Cl)c(C(=O)O)n2)cc1F.
What is the InChIKey of 3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid?
The InChIKey is QCXSXAMJSIEJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O3/c1-20-10-4-2-7(6-9(10)15)16-11-5-3-8(14)12(17-11)13(18)19/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid?
3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid has a molecular weight of 296.69 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3-fluoro-4-methoxyanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 43381012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).