5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid

C12H15FN2O3 — CID 114178774

IUPAC5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1NC1CCCC1CO
InChIInChI=1S/C12H15FN2O3/c13-8-4-9(12(17)18)11(14-5-8)15-10-3-1-2-7(10)6-16/h4-5,7,10,16H,1-3,6H2,(H,14,15)(H,17,18)
InChIKeyCEQCZVITYWGHOD-UHFFFAOYSA-N
MW254.26 g/mol
LogP1.49
Rot. Bonds4

About 5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid

5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid (PubChem CID 114178774) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
PubChem CID114178774
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1NC1CCCC1CO
InChIInChI=1S/C12H15FN2O3/c13-8-4-9(12(17)18)11(14-5-8)15-10-3-1-2-7(10)6-16/h4-5,7,10,16H,1-3,6H2,(H,14,15)(H,17,18)
InChIKeyCEQCZVITYWGHOD-UHFFFAOYSA-N
XLogP1.49
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 106361785
5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114034559
2-[[2-(hydroxymethyl)cyclopentyl]amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 106364840
3-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-4-carboxylic acid
CID 114179237
5-fluoro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 106257124
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid
CID 106361825
4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylsulfonylpyrimidine-5-carboxamide
CID 70981402
2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide
CID 71237164
[2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol
CID 106362049
[2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 112675954
[2-[(3,5,6-trifluoro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106364159
6-[[2-(hydroxymethyl)cyclopentyl]amino]pyrazine-2-carboxylic acid
CID 106361766

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid (CID 114178774) is 5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid is O=C(O)c1cc(F)cnc1NC1CCCC1CO.
What is the InChIKey of 5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid?
The InChIKey is CEQCZVITYWGHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c13-8-4-9(12(17)18)11(14-5-8)15-10-3-1-2-7(10)6-16/h4-5,7,10,16H,1-3,6H2,(H,14,15)(H,17,18).
What are the key properties of 5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid?
5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid has a molecular weight of 254.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114178774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).