5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid

C8H3BrF2N2O2 — CID 130109029

IUPAC5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
SMILESN#Cc1nc(C(F)F)c(C(=O)O)cc1Br
InChIInChI=1S/C8H3BrF2N2O2/c9-4-1-3(8(14)15)6(7(10)11)13-5(4)2-12/h1,7H,(H,14,15)
InChIKeyCGVISXADSJMYQQ-UHFFFAOYSA-N
MW277.02 g/mol
LogP2.35
Rot. Bonds2

About 5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid

5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid (PubChem CID 130109029) has the molecular formula C8H3BrF2N2O2 and a molecular weight of 277.02 g/mol. Its IUPAC name is 5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
PubChem CID130109029
Molecular FormulaC8H3BrF2N2O2
Molecular Weight277.02 g/mol
Exact Mass275.93
IUPAC Name5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
SMILESN#Cc1nc(C(F)F)c(C(=O)O)cc1Br
InChIInChI=1S/C8H3BrF2N2O2/c9-4-1-3(8(14)15)6(7(10)11)13-5(4)2-12/h1,7H,(H,14,15)
InChIKeyCGVISXADSJMYQQ-UHFFFAOYSA-N
XLogP2.35
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.02
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134667505
3-bromo-6-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 130108569
2-cyano-6-(difluoromethyl)-5-methoxypyridine-3-carboxylic acid
CID 130078142
2-cyano-6-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 134685781
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130108635
3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 130108994
5-bromo-6-chloro-2-cyanopyridine-3-carboxylic acid
CID 112757066
6-bromo-2-cyano-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130109023
2-bromo-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 119004230
ethyl 5-bromo-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134685207
6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
CID 134674654
5-cyano-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 133106197

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid (CID 130109029) is 5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid is N#Cc1nc(C(F)F)c(C(=O)O)cc1Br.
What is the InChIKey of 5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is CGVISXADSJMYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF2N2O2/c9-4-1-3(8(14)15)6(7(10)11)13-5(4)2-12/h1,7H,(H,14,15).
What are the key properties of 5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid?
5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 277.02 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 130109029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).