4-(1-hydroxypropyl)-6-(trifluoromethyl)pyridine-2-carbonitrile

C10H9F3N2O — CID 123591139

IUPAC4-(1-hydroxypropyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCCC(O)c1cc(C#N)nc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3N2O/c1-2-8(16)6-3-7(5-14)15-9(4-6)10(11,12)13/h3-4,8,16H,2H2,1H3
InChIKeyAVWQXTUENWNAQZ-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.42
Rot. Bonds2

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

4-(1-hydroxypropyl)-6-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 123591139) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 4-(1-hydroxypropyl)-6-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(1-hydroxypropyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID123591139
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name4-(1-hydroxypropyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCCC(O)c1cc(C#N)nc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3N2O/c1-2-8(16)6-3-7(5-14)15-9(4-6)10(11,12)13/h3-4,8,16H,2H2,1H3
InChIKeyAVWQXTUENWNAQZ-UHFFFAOYSA-N
XLogP2.42
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Methyl-6-(trifluoromethyl)pyridin-3-yl)methanol
CID 2760122
2,6-Dimethyl-4-(hydroxymethyl)pyridine
CID 3825077
(4,6-Dimethylpyridin-2-yl)methanol
CID 4296719
2-(Hydroxymethyl)-4,6-dimethylpyridine-3-carbonitrile
CID 66545162
(2,6-Bis(trifluoromethyl)pyridin-4-yl)methanol
CID 66545218
1-(2-Chloro-6-methylpyridin-4-yl)-2-fluoroethan-1-ol
CID 165655083
[3-(Hydroxymethyl)-2,6-dimethylpyridin-4-yl]methanol
CID 820383
(3,6-Dimethylpyridin-2-yl)methanol
CID 29923594
4-Butyl-6-ethylpyridine-2-methanol
CID 86243510
3-Pyridinemethanol, alpha,2,4,6-tetramethyl-
CID 144473
(6-Methyl-4-trifluoromethyl-pyridin-2-yl)-methanol
CID 17862327
[2-[2-(3-Fluorophenyl)ethynyl]-6-methyl-4-pyridinyl]methanol
CID 18763137

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypropyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-(1-hydroxypropyl)-6-(trifluoromethyl)pyridine-2-carbonitrile (CID 123591139) is 4-(1-hydroxypropyl)-6-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(1-hydroxypropyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-(1-hydroxypropyl)-6-(trifluoromethyl)pyridine-2-carbonitrile is CCC(O)c1cc(C#N)nc(C(F)(F)F)c1.
What is the InChIKey of 4-(1-hydroxypropyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is AVWQXTUENWNAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-2-8(16)6-3-7(5-14)15-9(4-6)10(11,12)13/h3-4,8,16H,2H2,1H3.
What are the key properties of 4-(1-hydroxypropyl)-6-(trifluoromethyl)pyridine-2-carbonitrile?
4-(1-hydroxypropyl)-6-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 230.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypropyl)-6-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 123591139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).