1-[(3,3-difluorocyclopentyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid

C13H15F2NO3 — CID 114224211

IUPAC1-[(3,3-difluorocyclopentyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1CC1CCC(F)(F)C1
InChIInChI=1S/C13H15F2NO3/c1-8-2-3-10(12(18)19)11(17)16(8)7-9-4-5-13(14,15)6-9/h2-3,9H,4-7H2,1H3,(H,18,19)
InChIKeyOLVCIUQUPSDCQI-UHFFFAOYSA-N
MW271.26 g/mol
LogP2.29
Rot. Bonds3

About 1-[(3,3-difluorocyclopentyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid

1-[(3,3-difluorocyclopentyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 114224211) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclopentyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3,3-difluorocyclopentyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID114224211
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name1-[(3,3-difluorocyclopentyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1CC1CCC(F)(F)C1
InChIInChI=1S/C13H15F2NO3/c1-8-2-3-10(12(18)19)11(17)16(8)7-9-4-5-13(14,15)6-9/h2-3,9H,4-7H2,1H3,(H,18,19)
InChIKeyOLVCIUQUPSDCQI-UHFFFAOYSA-N
XLogP2.29
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,3-difluorocyclopentyl)methyl]pyrrole-2-carboxylic acid
CID 169049400
1-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 62874027
6-methyl-1-(2-methylprop-2-enyl)-2-oxopyridine-3-carboxylic acid
CID 62876183
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 79219227
1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 114224333
6-methyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 62875870
6-methyl-1-(2-morpholin-4-ylethyl)-2-oxopyridine-3-carboxylic acid
CID 55125700
6-methyl-1-[2-(oxan-4-ylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 63098014
3-chloro-2-[(3,3-difluorocyclopentyl)methoxy]benzoic acid
CID 114224112
1-but-3-ynyl-6-methyl-2-oxopyridine-3-carboxylic acid
CID 63656074
1-(4-bromo-2-methylphenyl)-2-(3,3-difluorocyclopentyl)ethanone
CID 114224654
1-[(3,4-difluorophenyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82918916

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid (CID 114224211) is 1-[(3,3-difluorocyclopentyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3,3-difluorocyclopentyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3,3-difluorocyclopentyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1CC1CCC(F)(F)C1.
What is the InChIKey of 1-[(3,3-difluorocyclopentyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is OLVCIUQUPSDCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-8-2-3-10(12(18)19)11(17)16(8)7-9-4-5-13(14,15)6-9/h2-3,9H,4-7H2,1H3,(H,18,19).
What are the key properties of 1-[(3,3-difluorocyclopentyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid?
1-[(3,3-difluorocyclopentyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 271.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclopentyl)methyl]-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 114224211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).