2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxyphenyl)acetonitrile

C14H8ClF3N2O — CID 3665884

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxyphenyl)acetonitrile
SMILESN#CC(c1ccc(O)cc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H8ClF3N2O/c15-12-5-9(14(16,17)18)7-20-13(12)11(6-19)8-1-3-10(21)4-2-8/h1-5,7,11,21H
InChIKeyUKPOEKIFKHNIOV-UHFFFAOYSA-N
MW312.68 g/mol
LogP4.11
Rot. Bonds2

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxyphenyl)acetonitrile

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxyphenyl)acetonitrile (PubChem CID 3665884) has the molecular formula C14H8ClF3N2O and a molecular weight of 312.68 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxyphenyl)acetonitrile
PubChem CID3665884
Molecular FormulaC14H8ClF3N2O
Molecular Weight312.68 g/mol
Exact Mass312.03
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxyphenyl)acetonitrile
SMILESN#CC(c1ccc(O)cc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H8ClF3N2O/c15-12-5-9(14(16,17)18)7-20-13(12)11(6-19)8-1-3-10(21)4-2-8/h1-5,7,11,21H
InChIKeyUKPOEKIFKHNIOV-UHFFFAOYSA-N
XLogP4.11
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxyphenyl)acetonitrile (CID 3665884) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxyphenyl)acetonitrile is N#CC(c1ccc(O)cc1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxyphenyl)acetonitrile?
The InChIKey is UKPOEKIFKHNIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O/c15-12-5-9(14(16,17)18)7-20-13(12)11(6-19)8-1-3-10(21)4-2-8/h1-5,7,11,21H.
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxyphenyl)acetonitrile?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxyphenyl)acetonitrile has a molecular weight of 312.68 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 3665884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).