2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid

C12H15F3N2O3 — CID 107319679

IUPAC2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1NCCCCCO
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)9-5-4-8(11(19)20)10(17-9)16-6-2-1-3-7-18/h4-5,18H,1-3,6-7H2,(H,16,17)(H,19,20)
InChIKeyJPGCIQSNOOFWQA-UHFFFAOYSA-N
MW292.26 g/mol
LogP2.37
Rot. Bonds7

About 2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid

2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 107319679) has the molecular formula C12H15F3N2O3 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID107319679
Molecular FormulaC12H15F3N2O3
Molecular Weight292.26 g/mol
Exact Mass292.10
IUPAC Name2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(F)(F)F)nc1NCCCCCO
InChIInChI=1S/C12H15F3N2O3/c13-12(14,15)9-5-4-8(11(19)20)10(17-9)16-6-2-1-3-7-18/h4-5,18H,1-3,6-7H2,(H,16,17)(H,19,20)
InChIKeyJPGCIQSNOOFWQA-UHFFFAOYSA-N
XLogP2.37
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(dimethylamino)propylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876689
2-(3-methylsulfanylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877167
2-[2-(dimethylamino)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877024
2-[(4-hydroxy-2-methylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877633
2-(hexylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869081
2-(2-butoxyethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876203
2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876068
2-(3-aminopropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79877730
2-[2-(2-methylprop-2-enoxy)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 114469640
2-(2-thiophen-3-ylethylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876209
2-[[2-(dimethylamino)-2-methylpropyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876215
2-(4-methylpentylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868797

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 107319679) is 2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(C(F)(F)F)nc1NCCCCCO.
What is the InChIKey of 2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is JPGCIQSNOOFWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3/c13-12(14,15)9-5-4-8(11(19)20)10(17-9)16-6-2-1-3-7-18/h4-5,18H,1-3,6-7H2,(H,16,17)(H,19,20).
What are the key properties of 2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 292.26 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 107319679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).