5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid

C13H17FN2O2 — CID 114034559

IUPAC5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
SMILESCC1CCCC1CNc1ncc(F)cc1C(=O)O
InChIInChI=1S/C13H17FN2O2/c1-8-3-2-4-9(8)6-15-12-11(13(17)18)5-10(14)7-16-12/h5,7-9H,2-4,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyJRXVCAKPEZKJRG-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.77
Rot. Bonds4

About 5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid

5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid (PubChem CID 114034559) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
PubChem CID114034559
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
SMILESCC1CCCC1CNc1ncc(F)cc1C(=O)O
InChIInChI=1S/C13H17FN2O2/c1-8-3-2-4-9(8)6-15-12-11(13(17)18)5-10(14)7-16-12/h5,7-9H,2-4,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyJRXVCAKPEZKJRG-UHFFFAOYSA-N
XLogP2.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114047478
3,5-difluoro-N-[(2-methylcyclopentyl)methyl]pyridin-2-amine
CID 107419343
5-fluoro-2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 114267369
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 63511863
5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 114178774
5-fluoro-N-[(2-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 107419346
3-[(2-methylcyclohexyl)methylamino]pyridazine-4-carboxylic acid
CID 80517643
4-methyl-2-[(2-methylcyclopentyl)methylamino]pyrimidine-5-carboxylic acid
CID 107418984
2,3-difluoro-4-[(2-methylcyclopentyl)methylamino]benzoic acid
CID 107419155
3,5-difluoro-4-[(2-methylcyclopentyl)methylamino]benzoic acid
CID 107418977
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920
4,5-difluoro-2-[(2-methylcyclopentyl)methylcarbamoyl]benzoic acid
CID 107416687

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid (CID 114034559) is 5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid is CC1CCCC1CNc1ncc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is JRXVCAKPEZKJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-8-3-2-4-9(8)6-15-12-11(13(17)18)5-10(14)7-16-12/h5,7-9H,2-4,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid?
5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 252.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114034559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).