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

C15H10ClF3N2O — CID 2773886

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)c2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H10ClF3N2O/c1-22-11-4-2-9(3-5-11)12(7-20)14-13(16)6-10(8-21-14)15(17,18)19/h2-6,8,12H,1H3
InChIKeyOJPMQXDPMGPQGW-UHFFFAOYSA-N
MW326.71 g/mol
LogP4.42
Rot. Bonds3

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

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetonitrile (PubChem CID 2773886) has the molecular formula C15H10ClF3N2O and a molecular weight of 326.71 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetonitrile
PubChem CID2773886
Molecular FormulaC15H10ClF3N2O
Molecular Weight326.71 g/mol
Exact Mass326.04
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetonitrile
SMILESCOc1ccc(C(C#N)c2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H10ClF3N2O/c1-22-11-4-2-9(3-5-11)12(7-20)14-13(16)6-10(8-21-14)15(17,18)19/h2-6,8,12H,1H3
InChIKeyOJPMQXDPMGPQGW-UHFFFAOYSA-N
XLogP4.42
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 54.42
H-Bond Donors ≤ 50
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-methoxyphenyl)acetonitrile?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetonitrile (CID 2773886) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetonitrile is COc1ccc(C(C#N)c2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetonitrile?
The InChIKey is OJPMQXDPMGPQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O/c1-22-11-4-2-9(3-5-11)12(7-20)14-13(16)6-10(8-21-14)15(17,18)19/h2-6,8,12H,1H3.
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetonitrile?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(4-methoxyphenyl)acetonitrile has a molecular weight of 326.71 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 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-methoxyphenyl)acetonitrile is sourced from PubChem (CID 2773886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).