2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid

C7H3BrF3NO2 — CID 119024376

IUPAC2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1c(Br)ncc(C(F)F)c1F
InChIInChI=1S/C7H3BrF3NO2/c8-5-3(7(13)14)4(9)2(1-12-5)6(10)11/h1,6H,(H,13,14)
InChIKeyURJPCLSVCOXMGJ-UHFFFAOYSA-N
MW270.00 g/mol
LogP2.62
Rot. Bonds2

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

2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid (PubChem CID 119024376) has the molecular formula C7H3BrF3NO2 and a molecular weight of 270.00 g/mol. Its IUPAC name is 2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
PubChem CID119024376
Molecular FormulaC7H3BrF3NO2
Molecular Weight270.00 g/mol
Exact Mass268.93
IUPAC Name2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
SMILESO=C(O)c1c(Br)ncc(C(F)F)c1F
InChIInChI=1S/C7H3BrF3NO2/c8-5-3(7(13)14)4(9)2(1-12-5)6(10)11/h1,6H,(H,13,14)
InChIKeyURJPCLSVCOXMGJ-UHFFFAOYSA-N
XLogP2.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.00
LogP ≤ 52.62
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)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870
methyl 2-bromo-5-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 130109765
2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
CID 118994788
2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119010704
2-bromo-5-(difluoromethyl)-4-methoxypyridine-3-carboxamide
CID 119011099
3-bromo-2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 130109731
2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 119004021
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119015836
4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118845722
2-bromo-5-(difluoromethyl)-4-fluoro-3-methylpyridine
CID 130109380
2-bromo-5-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069537
2-bromo-4-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 118992528

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid?
The IUPAC name of 2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid (CID 119024376) is 2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid.
What is the SMILES notation for 2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid?
The canonical SMILES for 2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid is O=C(O)c1c(Br)ncc(C(F)F)c1F.
What is the InChIKey of 2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid?
The InChIKey is URJPCLSVCOXMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3NO2/c8-5-3(7(13)14)4(9)2(1-12-5)6(10)11/h1,6H,(H,13,14).
What are the key properties of 2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid?
2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid has a molecular weight of 270.00 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 119024376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).