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

C7H4BrF2NO2 — CID 119013778

IUPAC6-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(F)F)c(Br)n1
InChIInChI=1S/C7H4BrF2NO2/c8-5-3(6(9)10)1-2-4(11-5)7(12)13/h1-2,6H,(H,12,13)
InChIKeyYTDVKTNSAFCTAE-UHFFFAOYSA-N
MW252.01 g/mol
LogP2.48
Rot. Bonds2

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

6-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid (PubChem CID 119013778) has the molecular formula C7H4BrF2NO2 and a molecular weight of 252.01 g/mol. Its IUPAC name is 6-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
PubChem CID119013778
Molecular FormulaC7H4BrF2NO2
Molecular Weight252.01 g/mol
Exact Mass250.94
IUPAC Name6-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(F)F)c(Br)n1
InChIInChI=1S/C7H4BrF2NO2/c8-5-3(6(9)10)1-2-4(11-5)7(12)13/h1-2,6H,(H,12,13)
InChIKeyYTDVKTNSAFCTAE-UHFFFAOYSA-N
XLogP2.48
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.01
LogP ≤ 52.48
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

5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 130096479
2-[6-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 119015163
6-bromo-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118999323
5-bromo-4-(difluoromethyl)pyridine-2-carboxylic acid
CID 130095227
6-amino-5-(difluoromethyl)pyridine-2-carboxamide
CID 119001621
6-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118992472
6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 119018210
6-(difluoromethyl)-5-nitropyridine-2-carboxylic acid
CID 118809026
3-bromo-2-chloro-6-(difluoromethyl)benzoic acid
CID 131362271
3-bromo-5-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
CID 130110437
2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119024376
8-bromo-7-fluoroquinoline-2-carboxylic acid
CID 97036795

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid (CID 119013778) is 6-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(C(F)F)c(Br)n1.
What is the InChIKey of 6-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is YTDVKTNSAFCTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO2/c8-5-3(6(9)10)1-2-4(11-5)7(12)13/h1-2,6H,(H,12,13).
What are the key properties of 6-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid?
6-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 252.01 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 119013778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).