2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid

C12H7ClF2N2O2 — CID 43343649

IUPAC2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H7ClF2N2O2/c13-10-3-6(12(18)19)4-11(17-10)16-7-1-2-8(14)9(15)5-7/h1-5H,(H,16,17)(H,18,19)
InChIKeyALKBGICKVXIONT-UHFFFAOYSA-N
MW284.65 g/mol
LogP3.45
Rot. Bonds3

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

2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid (PubChem CID 43343649) has the molecular formula C12H7ClF2N2O2 and a molecular weight of 284.65 g/mol. Its IUPAC name is 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid
PubChem CID43343649
Molecular FormulaC12H7ClF2N2O2
Molecular Weight284.65 g/mol
Exact Mass284.02
IUPAC Name2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H7ClF2N2O2/c13-10-3-6(12(18)19)4-11(17-10)16-7-1-2-8(14)9(15)5-7/h1-5H,(H,16,17)(H,18,19)
InChIKeyALKBGICKVXIONT-UHFFFAOYSA-N
XLogP3.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.65
LogP ≤ 53.45
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-6-(4-fluoro-3-methoxyanilino)pyridine-4-carboxylic acid
CID 114840067
2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid
CID 43343601
2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid
CID 43343634
2-chloro-6-[3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 43343615
2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid
CID 107645086
2-chloro-6-(3,4-difluoroanilino)pyridine-4-carbonitrile
CID 83072936
2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid
CID 43343692
6-chloro-2-(3,4-difluoroanilino)pyridine-3-carboxylic acid
CID 63376482
6-chloro-2-cyclopropyl-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 80948296
2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid
CID 107613264
3-[(2-amino-6-chloropyrimidin-4-yl)amino]benzoic acid
CID 19257146
6-chloro-N-(3,4-difluorophenyl)pyridazin-3-amine
CID 43151751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid (CID 43343649) is 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid?
The InChIKey is ALKBGICKVXIONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2O2/c13-10-3-6(12(18)19)4-11(17-10)16-7-1-2-8(14)9(15)5-7/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid?
2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid has a molecular weight of 284.65 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 43343649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).