6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid

C9H8F2N2O3 — CID 115408328

IUPAC6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCC(F)F)n1
InChIInChI=1S/C9H8F2N2O3/c10-7(11)4-12-8(14)5-2-1-3-6(13-5)9(15)16/h1-3,7H,4H2,(H,12,14)(H,15,16)
InChIKeyIBAHEHXDLDFKFG-UHFFFAOYSA-N
MW230.17 g/mol
LogP0.77
Rot. Bonds4

About 6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid

6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 115408328) has the molecular formula C9H8F2N2O3 and a molecular weight of 230.17 g/mol. Its IUPAC name is 6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID115408328
Molecular FormulaC9H8F2N2O3
Molecular Weight230.17 g/mol
Exact Mass230.05
IUPAC Name6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCC(F)F)n1
InChIInChI=1S/C9H8F2N2O3/c10-7(11)4-12-8(14)5-2-1-3-6(13-5)9(15)16/h1-3,7H,4H2,(H,12,14)(H,15,16)
InChIKeyIBAHEHXDLDFKFG-UHFFFAOYSA-N
XLogP0.77
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

dysprosium;tris(6-(ethylcarbamoyl)pyridine-2-carboxylic acid)
CID 139213338
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CID 115730327
N-(2,2-difluoroethyl)-6-fluoro-5-hydroxypyridine-2-carboxamide
CID 176996036
6-(2-propan-2-yloxyethylcarbamoyl)pyridine-2-carboxylic acid
CID 104764713
CID 91986542
CID 91986542
4-(2,2-difluoroethylcarbamoyl)-1,3-thiazole-2-carboxylic acid
CID 104892941
6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid
CID 115521722
N-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide
CID 125017412
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 43566561
N-(2-methylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094386
2-N-(2-methylpropyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109094464

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid (CID 115408328) is 6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)NCC(F)F)n1.
What is the InChIKey of 6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is IBAHEHXDLDFKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O3/c10-7(11)4-12-8(14)5-2-1-3-6(13-5)9(15)16/h1-3,7H,4H2,(H,12,14)(H,15,16).
What are the key properties of 6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid?
6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 230.17 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 115408328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).