4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid

C7H3BrClF2NO2 — CID 118845722

IUPAC4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(Cl)ncc(C(F)F)c1Br
InChIInChI=1S/C7H3BrClF2NO2/c8-4-2(6(10)11)1-12-5(9)3(4)7(13)14/h1,6H,(H,13,14)
InChIKeyFEJWTZXXZNLOCW-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.13
Rot. Bonds2

About 4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid

4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid (PubChem CID 118845722) has the molecular formula C7H3BrClF2NO2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid
PubChem CID118845722
Molecular FormulaC7H3BrClF2NO2
Molecular Weight286.46 g/mol
Exact Mass284.90
IUPAC Name4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(Cl)ncc(C(F)F)c1Br
InChIInChI=1S/C7H3BrClF2NO2/c8-4-2(6(10)11)1-12-5(9)3(4)7(13)14/h1,6H,(H,13,14)
InChIKeyFEJWTZXXZNLOCW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol
CID 118799512
2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118805144
3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 130075315
4-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 118844275
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 130075064
2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 119015603
3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130109731
2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119024376
4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 118845560
3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride
CID 130103026
2-[4-bromo-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108379
2,4-dichloro-5-methylpyridine-3-carboxylic acid
CID 174770663

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid (CID 118845722) is 4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1c(Cl)ncc(C(F)F)c1Br.
What is the InChIKey of 4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is FEJWTZXXZNLOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClF2NO2/c8-4-2(6(10)11)1-12-5(9)3(4)7(13)14/h1,6H,(H,13,14).
What are the key properties of 4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid?
4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-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-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 118845722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).