2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid

C12H6BrCl2FN2O2 — CID 107613264

IUPAC2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Nc2c(Cl)cc(F)cc2Br)c1
InChIInChI=1S/C12H6BrCl2FN2O2/c13-7-3-6(16)4-8(14)11(7)18-10-2-5(12(19)20)1-9(15)17-10/h1-4H,(H,17,18)(H,19,20)
InChIKeyZAOAFRNIWMHLPF-UHFFFAOYSA-N
MW380.00 g/mol
LogP4.73
Rot. Bonds3

About 2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid

2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid (PubChem CID 107613264) has the molecular formula C12H6BrCl2FN2O2 and a molecular weight of 380.00 g/mol. Its IUPAC name is 2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid
PubChem CID107613264
Molecular FormulaC12H6BrCl2FN2O2
Molecular Weight380.00 g/mol
Exact Mass377.90
IUPAC Name2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(Nc2c(Cl)cc(F)cc2Br)c1
InChIInChI=1S/C12H6BrCl2FN2O2/c13-7-3-6(16)4-8(14)11(7)18-10-2-5(12(19)20)1-9(15)17-10/h1-4H,(H,17,18)(H,19,20)
InChIKeyZAOAFRNIWMHLPF-UHFFFAOYSA-N
XLogP4.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.00
LogP ≤ 54.73
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-(2-bromo-6-chloro-4-fluoroanilino)-6-ethylpyridine-4-carboxylic acid
CID 107613288
2-chloro-6-(2,3,5,6-tetrafluoroanilino)pyridine-4-carboxylic acid
CID 107645086
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine
CID 107614938
2-(2-bromo-6-chloro-4-fluoroanilino)-6-methylpyridine-4-carbothioamide
CID 107612296
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107614936
2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid
CID 43343634
2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid
CID 43343692
2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid
CID 43343649
4-N-(2-bromo-6-chloro-4-fluorophenyl)-2-tert-butylpyrimidine-4,6-diamine
CID 107617678
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)-2-ethylpyrimidin-4-amine
CID 107614917
N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 107614970
6-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 107614902

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid?
The IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid (CID 107613264) is 2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(Nc2c(Cl)cc(F)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid?
The InChIKey is ZAOAFRNIWMHLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2FN2O2/c13-7-3-6(16)4-8(14)11(7)18-10-2-5(12(19)20)1-9(15)17-10/h1-4H,(H,17,18)(H,19,20).
What are the key properties of 2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid?
2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid has a molecular weight of 380.00 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-chloro-4-fluoroanilino)-6-chloropyridine-4-carboxylic acid is sourced from PubChem (CID 107613264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).