5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid

C12H6BrCl2FN2O2 — CID 83077979

IUPAC5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cnc1Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H6BrCl2FN2O2/c13-5-1-7(12(19)20)11(17-4-5)18-10-8(14)2-6(16)3-9(10)15/h1-4H,(H,17,18)(H,19,20)
InChIKeyVUKYPEJWRVJJCA-UHFFFAOYSA-N
MW380.00 g/mol
LogP4.73
Rot. Bonds3

About 5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid

5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid (PubChem CID 83077979) has the molecular formula C12H6BrCl2FN2O2 and a molecular weight of 380.00 g/mol. Its IUPAC name is 5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
PubChem CID83077979
Molecular FormulaC12H6BrCl2FN2O2
Molecular Weight380.00 g/mol
Exact Mass377.90
IUPAC Name5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cnc1Nc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C12H6BrCl2FN2O2/c13-5-1-7(12(19)20)11(17-4-5)18-10-8(14)2-6(16)3-9(10)15/h1-4H,(H,17,18)(H,19,20)
InChIKeyVUKYPEJWRVJJCA-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

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Related Compounds

5-bromo-2-(2-chloro-6-methylanilino)pyridine-3-carboxylic acid
CID 66256105
5-bromo-2-chloro-N-(2,6-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 82889174
5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 62000351
5-bromo-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 63537127
4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
CID 83079420
5-amino-6-(2-chloro-4,6-difluoroanilino)pyridine-3-carboxylic acid
CID 83087906
6-(2,6-dichloro-4-fluoroanilino)-2-methylpyridine-3-carboxylic acid
CID 83078813
5-bromo-N-(2-chloro-4-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62166681
5-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 107470670
3-bromo-5-chloro-N-(2-chloro-4,6-difluorophenyl)pyridin-2-amine
CID 114837355
5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 83081916
5-bromo-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 106189991

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid (CID 83077979) is 5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid is O=C(O)c1cc(Br)cnc1Nc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid?
The InChIKey is VUKYPEJWRVJJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2FN2O2/c13-5-1-7(12(19)20)11(17-4-5)18-10-8(14)2-6(16)3-9(10)15/h1-4H,(H,17,18)(H,19,20).
What are the key properties of 5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid?
5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-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 5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 83077979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).