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

C7H4BrF2NO2 — CID 130095227

IUPAC5-bromo-4-(difluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)c(Br)cn1
InChIInChI=1S/C7H4BrF2NO2/c8-4-2-11-5(7(12)13)1-3(4)6(9)10/h1-2,6H,(H,12,13)
InChIKeyMYYCNCJFKRAYNE-UHFFFAOYSA-N
MW252.01 g/mol
LogP2.48
Rot. Bonds2

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

5-bromo-4-(difluoromethyl)pyridine-2-carboxylic acid (PubChem CID 130095227) has the molecular formula C7H4BrF2NO2 and a molecular weight of 252.01 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-4-(difluoromethyl)pyridine-2-carboxylic acid
PubChem CID130095227
Molecular FormulaC7H4BrF2NO2
Molecular Weight252.01 g/mol
Exact Mass250.94
IUPAC Name5-bromo-4-(difluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)c(Br)cn1
InChIInChI=1S/C7H4BrF2NO2/c8-4-2-11-5(7(12)13)1-3(4)6(9)10/h1-2,6H,(H,12,13)
InChIKeyMYYCNCJFKRAYNE-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

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Related Compounds

4-(difluoromethyl)-5-methylpyridine-2-carboxylic acid
CID 118852266
2,5-dibromo-4-(difluoromethyl)pyridine
CID 119009471
5-bromo-4-(difluoromethyl)-2-fluoropyridine
CID 130095003
6-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 119013778
4-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 118840590
5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane
CID 156803169
2-bromo-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119024376
2,5-dibromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 119004021
4,5-dibromo-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 118800112
3-bromo-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 130110439
4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 118806357
5-bromo-4-(difluoromethyl)-3-fluoropyridine-2-carboxylic acid
CID 130109738

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-bromo-4-(difluoromethyl)pyridine-2-carboxylic acid (CID 130095227) is 5-bromo-4-(difluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-bromo-4-(difluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-bromo-4-(difluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1cc(C(F)F)c(Br)cn1.
What is the InChIKey of 5-bromo-4-(difluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is MYYCNCJFKRAYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2NO2/c8-4-2-11-5(7(12)13)1-3(4)6(9)10/h1-2,6H,(H,12,13).
What are the key properties of 5-bromo-4-(difluoromethyl)pyridine-2-carboxylic acid?
5-bromo-4-(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 5-bromo-4-(difluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 130095227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).