1-(3,3-difluorocyclobutyl)-2-oxopyridine-3-carboxylic acid

C10H9F2NO3 — CID 139373441

IUPAC1-(3,3-difluorocyclobutyl)-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(C2CC(F)(F)C2)c1=O
InChIInChI=1S/C10H9F2NO3/c11-10(12)4-6(5-10)13-3-1-2-7(8(13)14)9(15)16/h1-3,6H,4-5H2,(H,15,16)
InChIKeyHNMHTJKTXKEQCZ-UHFFFAOYSA-N
MW229.18 g/mol
LogP1.52
Rot. Bonds2

About 1-(3,3-difluorocyclobutyl)-2-oxopyridine-3-carboxylic acid

1-(3,3-difluorocyclobutyl)-2-oxopyridine-3-carboxylic acid (PubChem CID 139373441) has the molecular formula C10H9F2NO3 and a molecular weight of 229.18 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-2-oxopyridine-3-carboxylic acid
PubChem CID139373441
Molecular FormulaC10H9F2NO3
Molecular Weight229.18 g/mol
Exact Mass229.06
IUPAC Name1-(3,3-difluorocyclobutyl)-2-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(C2CC(F)(F)C2)c1=O
InChIInChI=1S/C10H9F2NO3/c11-10(12)4-6(5-10)13-3-1-2-7(8(13)14)9(15)16/h1-3,6H,4-5H2,(H,15,16)
InChIKeyHNMHTJKTXKEQCZ-UHFFFAOYSA-N
XLogP1.52
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclopropyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 72942813
3-Pyridinecarboxylic acid, 1-cyclobutyl-1,2-dihydro-2-oxo-
CID 86277097
7-Fluoro-4-oxoquinolizine-3-carboxylic acid
CID 56608262
1-Fluoro-4-oxoquinolizine-3-carboxylic acid
CID 56610835
5-Fluoro-1-Isopropyl-6-Methyl-2-oxo-1,2-Dihydropyridine-3-Carboxylic Acid
CID 59255056
1-(2,2-Difluoroethyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 63937616
2-Oxo-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridine-3-carboxylic acid
CID 63937618
1-Difluoromethyl-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid
CID 67220851
1-(2-Methylprop-2-enyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 68494019
1,2-Dihydro-1-methyl-2-oxo-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 68494030
1-Ethyl-2-oxopyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 118949022
1,1-Dimethyl-2-oxo-6-(trifluoromethyl)pyridin-1-ium-3-carboxylic acid
CID 123188448

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-2-oxopyridine-3-carboxylic acid (CID 139373441) is 1-(3,3-difluorocyclobutyl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-2-oxopyridine-3-carboxylic acid is O=C(O)c1cccn(C2CC(F)(F)C2)c1=O.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is HNMHTJKTXKEQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO3/c11-10(12)4-6(5-10)13-3-1-2-7(8(13)14)9(15)16/h1-3,6H,4-5H2,(H,15,16).
What are the key properties of 1-(3,3-difluorocyclobutyl)-2-oxopyridine-3-carboxylic acid?
1-(3,3-difluorocyclobutyl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 229.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 139373441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).