2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C12H14F3N3O — CID 79034050

IUPAC2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCN(CCO)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C12H14F3N3O/c1-2-5-18(6-7-19)11-9(8-16)3-4-10(17-11)12(13,14)15/h3-4,19H,2,5-7H2,1H3
InChIKeyQKOROLLGMYCYDQ-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.18
Rot. Bonds5

About 2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79034050) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79034050
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCCN(CCO)c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C12H14F3N3O/c1-2-5-18(6-7-19)11-9(8-16)3-4-10(17-11)12(13,14)15/h3-4,19H,2,5-7H2,1H3
InChIKeyQKOROLLGMYCYDQ-UHFFFAOYSA-N
XLogP2.18
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79034050) is 2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is CCCN(CCO)c1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is QKOROLLGMYCYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-2-5-18(6-7-19)11-9(8-16)3-4-10(17-11)12(13,14)15/h3-4,19H,2,5-7H2,1H3.
What are the key properties of 2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 273.26 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79034050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).