2-hydroxy-1-(3-hydroxypropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

C10H9F3N2O3 — CID 155248060

IUPAC2-hydroxy-1-(3-hydroxypropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(=O)n(CCCO)c1O
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)7-4-8(17)15(2-1-3-16)9(18)6(7)5-14/h4,16,18H,1-3H2
InChIKeyOPWXZKLXMQZTED-UHFFFAOYSA-N
MW262.19 g/mol
LogP0.83
Rot. Bonds3

About 2-hydroxy-1-(3-hydroxypropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile

2-hydroxy-1-(3-hydroxypropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 155248060) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-hydroxy-1-(3-hydroxypropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-1-(3-hydroxypropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID155248060
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Name2-hydroxy-1-(3-hydroxypropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(=O)n(CCCO)c1O
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)7-4-8(17)15(2-1-3-16)9(18)6(7)5-14/h4,16,18H,1-3H2
InChIKeyOPWXZKLXMQZTED-UHFFFAOYSA-N
XLogP0.83
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-1-(3-hydroxypropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(3-hydroxypropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-1-(3-hydroxypropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 155248060) is 2-hydroxy-1-(3-hydroxypropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-1-(3-hydroxypropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-1-(3-hydroxypropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(=O)n(CCCO)c1O.
What is the InChIKey of 2-hydroxy-1-(3-hydroxypropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is OPWXZKLXMQZTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c11-10(12,13)7-4-8(17)15(2-1-3-16)9(18)6(7)5-14/h4,16,18H,1-3H2.
What are the key properties of 2-hydroxy-1-(3-hydroxypropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-hydroxy-1-(3-hydroxypropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 262.19 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(3-hydroxypropyl)-6-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 155248060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).