2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid

C14H12ClFN2O2 — CID 107528823

IUPAC2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C14H12ClFN2O2/c1-7-5-8(2)17-13(12(7)14(19)20)18-11-6-9(16)3-4-10(11)15/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyKPORQQUMPIJJBN-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.93
Rot. Bonds3

About 2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid

2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid (PubChem CID 107528823) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
PubChem CID107528823
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Name2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(C)c(C(=O)O)c(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C14H12ClFN2O2/c1-7-5-8(2)17-13(12(7)14(19)20)18-11-6-9(16)3-4-10(11)15/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyKPORQQUMPIJJBN-UHFFFAOYSA-N
XLogP3.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-methylanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 107636152
2-(2-bromo-4-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 63537312
2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678644
2-(3,5-difluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61003029
2-[(3-fluorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 61003365
2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 60678560
2-[(2-chloro-5-fluorophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carboxylic acid
CID 102615119
3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107528825
2-(2-cyanoanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61003027
6-chloro-2-(5-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 63537975
2-(2-chloro-5-fluoroanilino)-5-fluorobenzoic acid
CID 175233849
6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 107530513

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid (CID 107528823) is 2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid is Cc1cc(C)c(C(=O)O)c(Nc2cc(F)ccc2Cl)n1.
What is the InChIKey of 2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is KPORQQUMPIJJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-7-5-8(2)17-13(12(7)14(19)20)18-11-6-9(16)3-4-10(11)15/h3-6H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid?
2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 294.71 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 107528823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).