2-(2-hydroxyethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C15H12F3N3O — CID 3612835

IUPAC2-(2-hydroxyethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1NCCO
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)12-8-13(10-4-2-1-3-5-10)21-14(11(12)9-19)20-6-7-22/h1-5,8,22H,6-7H2,(H,20,21)
InChIKeyPDHUJFQOUGUTKG-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.04
Rot. Bonds4

About 2-(2-hydroxyethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-(2-hydroxyethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 3612835) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID3612835
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name2-(2-hydroxyethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1NCCO
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)12-8-13(10-4-2-1-3-5-10)21-14(11(12)9-19)20-6-7-22/h1-5,8,22H,6-7H2,(H,20,21)
InChIKeyPDHUJFQOUGUTKG-UHFFFAOYSA-N
XLogP3.04
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-hydroxyethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 3612835) is 2-(2-hydroxyethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is PDHUJFQOUGUTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c16-15(17,18)12-8-13(10-4-2-1-3-5-10)21-14(11(12)9-19)20-6-7-22/h1-5,8,22H,6-7H2,(H,20,21).
What are the key properties of 2-(2-hydroxyethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-(2-hydroxyethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 307.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 3612835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).