5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid

C13H10ClFN2O2 — CID 114919129

IUPAC5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid
SMILESCc1ccc(Nc2cc(C(=O)O)c(Cl)cn2)cc1F
InChIInChI=1S/C13H10ClFN2O2/c1-7-2-3-8(4-11(7)15)17-12-5-9(13(18)19)10(14)6-16-12/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyKLBQLAQNLDGYMK-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.62
Rot. Bonds3

About 5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid

5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid (PubChem CID 114919129) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid
PubChem CID114919129
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid
SMILESCc1ccc(Nc2cc(C(=O)O)c(Cl)cn2)cc1F
InChIInChI=1S/C13H10ClFN2O2/c1-7-2-3-8(4-11(7)15)17-12-5-9(13(18)19)10(14)6-16-12/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyKLBQLAQNLDGYMK-UHFFFAOYSA-N
XLogP3.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid
CID 114919117
5-chloro-2-(2-fluoro-4-methylanilino)pyridine-4-carboxylic acid
CID 114919175
5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
CID 114919577
5-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-4-carboxylic acid
CID 114919156
5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid
CID 114919808
5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 114919233
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113018903
4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233334
5-(3-chloro-4-methylanilino)-N-(4-fluorophenyl)pyrazine-2-carboxamide
CID 109292474
2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid
CID 60862551
5-chloro-2-(2,3-dichloroanilino)pyridine-4-carboxylic acid
CID 114919169
N-(3-fluoro-4-methylphenyl)-4-methylpyridin-2-amine
CID 53414490

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid (CID 114919129) is 5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid is Cc1ccc(Nc2cc(C(=O)O)c(Cl)cn2)cc1F.
What is the InChIKey of 5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid?
The InChIKey is KLBQLAQNLDGYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c1-7-2-3-8(4-11(7)15)17-12-5-9(13(18)19)10(14)6-16-12/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid?
5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid has a molecular weight of 280.69 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114919129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).