2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid

C12H7Cl2FN2O2 — CID 43343692

IUPAC2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Nc2cccc(Cl)c2F)c1
InChIInChI=1S/C12H7Cl2FN2O2/c13-7-2-1-3-8(11(7)15)16-10-5-6(12(18)19)4-9(14)17-10/h1-5H,(H,16,17)(H,18,19)
InChIKeyXITWDAGMYNCMOS-UHFFFAOYSA-N
MW301.10 g/mol
LogP3.97
Rot. Bonds3

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

2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid (PubChem CID 43343692) has the molecular formula C12H7Cl2FN2O2 and a molecular weight of 301.10 g/mol. Its IUPAC name is 2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid
PubChem CID43343692
Molecular FormulaC12H7Cl2FN2O2
Molecular Weight301.10 g/mol
Exact Mass299.99
IUPAC Name2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Nc2cccc(Cl)c2F)c1
InChIInChI=1S/C12H7Cl2FN2O2/c13-7-2-1-3-8(11(7)15)16-10-5-6(12(18)19)4-9(14)17-10/h1-5H,(H,16,17)(H,18,19)
InChIKeyXITWDAGMYNCMOS-UHFFFAOYSA-N
XLogP3.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62166988
6-chloro-N-(3-chloro-2-fluorophenyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106766928
2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid
CID 107645086
6-chloro-N-(3-chloro-2-fluorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80544765
2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid
CID 43343649
2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 43343615
2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid
CID 43343634
2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid
CID 43343601
2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid
CID 107613264
2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid
CID 43166932
4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
CID 43452947
4-(3-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
CID 43326161

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid (CID 43343692) is 2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(Nc2cccc(Cl)c2F)c1.
What is the InChIKey of 2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid?
The InChIKey is XITWDAGMYNCMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FN2O2/c13-7-2-1-3-8(11(7)15)16-10-5-6(12(18)19)4-9(14)17-10/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid?
2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid has a molecular weight of 301.10 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 43343692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).