4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid

C7H3BrClF2NO2 — CID 130108285

IUPAC4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Br)c(Cl)c(C(F)F)n1
InChIInChI=1S/C7H3BrClF2NO2/c8-2-1-3(7(13)14)12-5(4(2)9)6(10)11/h1,6H,(H,13,14)
InChIKeyWRUMTNQWNKHWTI-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.13
Rot. Bonds2

About 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid

4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid (PubChem CID 130108285) has the molecular formula C7H3BrClF2NO2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
PubChem CID130108285
Molecular FormulaC7H3BrClF2NO2
Molecular Weight286.46 g/mol
Exact Mass284.90
IUPAC Name4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Br)c(Cl)c(C(F)F)n1
InChIInChI=1S/C7H3BrClF2NO2/c8-2-1-3(7(13)14)12-5(4(2)9)6(10)11/h1,6H,(H,13,14)
InChIKeyWRUMTNQWNKHWTI-UHFFFAOYSA-N
XLogP3.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 118806357
5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130074499
[4-bromo-5-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine
CID 130108006
8-bromo-4,5-dichloro-6-methylquinoline-2-carboxylic acid
CID 104725291
4-amino-6-(difluoromethyl)-5-fluoropyridine-2-carboxylic acid
CID 118811846
5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130108417
6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118825978
3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075329
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
CID 130086964
5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134675155
2-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 130075309
3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134684920

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid (CID 130108285) is 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1cc(Br)c(Cl)c(C(F)F)n1.
What is the InChIKey of 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is WRUMTNQWNKHWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF2NO2/c8-2-1-3(7(13)14)12-5(4(2)9)6(10)11/h1,6H,(H,13,14).
What are the key properties of 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid?
4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 286.46 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 130108285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).