2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C12H13F3N2O2 — CID 79876891

IUPAC2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1NC1CCCC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-6-5-8(11(18)19)10(17-9)16-7-3-1-2-4-7/h5-7H,1-4H2,(H,16,17)(H,18,19)
InChIKeyDOXQMZLJUAUNGG-UHFFFAOYSA-N
MW274.24 g/mol
LogP3.15
Rot. Bonds3

About 2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 79876891) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID79876891
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1NC1CCCC1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)9-6-5-8(11(18)19)10(17-9)16-7-3-1-2-4-7/h5-7H,1-4H2,(H,16,17)(H,18,19)
InChIKeyDOXQMZLJUAUNGG-UHFFFAOYSA-N
XLogP3.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875532
2-[(3-hydroxycyclobutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868949
2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875709
2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868721
2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965942
4-(cyclohexylamino)-2-(trifluoromethyl)benzoic acid
CID 62711963
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
2-(thiolan-3-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 107298316
2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 107319679
2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868718
2-chloro-N-cyclohexyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 171367592
N-cyclohexyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31852499

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 79876891) is 2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(C(F)(F)F)nc1NC1CCCC1.
What is the InChIKey of 2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is DOXQMZLJUAUNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)9-6-5-8(11(18)19)10(17-9)16-7-3-1-2-4-7/h5-7H,1-4H2,(H,16,17)(H,18,19).
What are the key properties of 2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 274.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79876891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).