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

C7H3BrF3NO2 — CID 130109738

IUPAC5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(Br)c(C(F)F)c1F
InChIInChI=1S/C7H3BrF3NO2/c8-2-1-12-5(7(13)14)4(9)3(2)6(10)11/h1,6H,(H,13,14)
InChIKeyLUVKICHURALOLD-UHFFFAOYSA-N
MW270.00 g/mol
LogP2.62
Rot. Bonds2

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

5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid (PubChem CID 130109738) has the molecular formula C7H3BrF3NO2 and a molecular weight of 270.00 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid
PubChem CID130109738
Molecular FormulaC7H3BrF3NO2
Molecular Weight270.00 g/mol
Exact Mass268.93
IUPAC Name5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(Br)c(C(F)F)c1F
InChIInChI=1S/C7H3BrF3NO2/c8-2-1-12-5(7(13)14)4(9)3(2)6(10)11/h1,6H,(H,13,14)
InChIKeyLUVKICHURALOLD-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

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Related Compounds

4,5-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118800112
5-bromo-3-chloro-4-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130108425
5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870
2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 119004021
5-bromo-3-(difluoromethyl)-4-nitropyridine-2-carboxylic acid
CID 130069949
5-bromo-4-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 130069945
5-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxamide
CID 130068606
5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-sulfonamide
CID 130109962
6-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119015836
4-amino-5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130107280
2-bromo-4-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119010704
2-bromo-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
CID 118994788

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid (CID 130109738) is 5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid is O=C(O)c1ncc(Br)c(C(F)F)c1F.
What is the InChIKey of 5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid?
The InChIKey is LUVKICHURALOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF3NO2/c8-2-1-12-5(7(13)14)4(9)3(2)6(10)11/h1,6H,(H,13,14).
What are the key properties of 5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid?
5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-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 5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 130109738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).