1-(2-fluoro-2-methylpropyl)-6-oxopyridine-3-carboxylic acid

C10H12FNO3 — CID 171140042

IUPAC1-(2-fluoro-2-methylpropyl)-6-oxopyridine-3-carboxylic acid
SMILESCC(C)(F)Cn1cc(C(=O)O)ccc1=O
InChIInChI=1S/C10H12FNO3/c1-10(2,11)6-12-5-7(9(14)15)3-4-8(12)13/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyOIVJXAIZBFJPKM-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.29
Rot. Bonds3

About 1-(2-fluoro-2-methylpropyl)-6-oxopyridine-3-carboxylic acid

1-(2-fluoro-2-methylpropyl)-6-oxopyridine-3-carboxylic acid (PubChem CID 171140042) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 1-(2-fluoro-2-methylpropyl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-2-methylpropyl)-6-oxopyridine-3-carboxylic acid
PubChem CID171140042
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name1-(2-fluoro-2-methylpropyl)-6-oxopyridine-3-carboxylic acid
SMILESCC(C)(F)Cn1cc(C(=O)O)ccc1=O
InChIInChI=1S/C10H12FNO3/c1-10(2,11)6-12-5-7(9(14)15)3-4-8(12)13/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyOIVJXAIZBFJPKM-UHFFFAOYSA-N
XLogP1.29
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N(1)-methyl-2-pyridone-5-carboxylic acid
CID 592704
3-(2-Oxo-5-(trifluoromethyl)pyridin-1(2H)-yl)propanoic acid
CID 2737090
1-(Difluoromethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 21885875
1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 21885909
6-Oxo-1-(propan-2-yl)-1,6-dihydropyridine-3-carboxylic acid
CID 21885916
1,5-Dimethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 21885925
1-Ethyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 37134599
2-Oxo-1-(propan-2-yl)-1,2-dihydropyridine-4-carboxylic acid
CID 44600733
1-Cyclopentyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 61727017
1-Ethyl-5-fluoro-6-oxopyridine-3-carboxylic acid
CID 21885833
1-(2,2-Difluoroethyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 21885835
1-(Difluoromethyl)-5-ethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CID 21885905

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-2-methylpropyl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2-fluoro-2-methylpropyl)-6-oxopyridine-3-carboxylic acid (CID 171140042) is 1-(2-fluoro-2-methylpropyl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-2-methylpropyl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-2-methylpropyl)-6-oxopyridine-3-carboxylic acid is CC(C)(F)Cn1cc(C(=O)O)ccc1=O.
What is the InChIKey of 1-(2-fluoro-2-methylpropyl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is OIVJXAIZBFJPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-10(2,11)6-12-5-7(9(14)15)3-4-8(12)13/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-fluoro-2-methylpropyl)-6-oxopyridine-3-carboxylic acid?
1-(2-fluoro-2-methylpropyl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 213.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-2-methylpropyl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 171140042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).