2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid

C12H8ClFN2O2 — CID 107528839

IUPAC2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Nc2cc(F)ccc2Cl)c1
InChIInChI=1S/C12H8ClFN2O2/c13-9-2-1-8(14)6-10(9)16-11-5-7(12(17)18)3-4-15-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyGFIJDVQEAROZBR-UHFFFAOYSA-N
MW266.66 g/mol
LogP3.32
Rot. Bonds3

About 2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid

2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid (PubChem CID 107528839) has the molecular formula C12H8ClFN2O2 and a molecular weight of 266.66 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid
PubChem CID107528839
Molecular FormulaC12H8ClFN2O2
Molecular Weight266.66 g/mol
Exact Mass266.03
IUPAC Name2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Nc2cc(F)ccc2Cl)c1
InChIInChI=1S/C12H8ClFN2O2/c13-9-2-1-8(14)6-10(9)16-11-5-7(12(17)18)3-4-15-11/h1-6H,(H,15,16)(H,17,18)
InChIKeyGFIJDVQEAROZBR-UHFFFAOYSA-N
XLogP3.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-2-iodoanilino)pyridine-4-carboxylic acid
CID 79766331
2-(3,4-dichloroanilino)pyridine-4-carboxylic acid
CID 13082139
2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
CID 62815223
2-[(2-chloro-5-fluorophenyl)sulfonylamino]pyridine-4-carboxylic acid
CID 105399818
4-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107528832
3-chloro-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylic acid
CID 107528825
2-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 28537506
2-(2-chloro-5-fluoroanilino)-5-fluorobenzoic acid
CID 175233849
4-N-(2-chloro-5-fluorophenyl)pyrimidine-2,4-diamine
CID 107531781
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109177743
[2-(2,5-dichloroanilino)-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109168715
2-(2-chloro-5-fluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 107531721

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid (CID 107528839) is 2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid is O=C(O)c1ccnc(Nc2cc(F)ccc2Cl)c1.
What is the InChIKey of 2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid?
The InChIKey is GFIJDVQEAROZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O2/c13-9-2-1-8(14)6-10(9)16-11-5-7(12(17)18)3-4-15-11/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid?
2-(2-chloro-5-fluoroanilino)pyridine-4-carboxylic acid has a molecular weight of 266.66 g/mol, XLogP of 3.32, 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)pyridine-4-carboxylic acid is sourced from PubChem (CID 107528839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).