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

Name: 5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₆BrCl₂FN₂O₂ — CID 83077979

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
PubChem CID	83077979
Molecular Formula	C₁₂H₆BrCl₂FN₂O₂
Molecular Weight	380.00 g/mol
Exact Mass	377.90
IUPAC Name	5-bromo-2-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
SMILES	O=C(O)c1cc(Br)cnc1Nc1c(Cl)cc(F)cc1Cl
InChI	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)
InChIKey	VUKYPEJWRVJJCA-UHFFFAOYSA-N
XLogP	4.73
TPSA	62.22 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.00
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 83077979 — identifiers, structure, computed properties (public domain)

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