2-[2-pyridin-4-yl-5-(trifluoromethyl)phenyl]acetonitrile

C14H9F3N2 — CID 46316258

IUPAC2-[2-pyridin-4-yl-5-(trifluoromethyl)phenyl]acetonitrile
SMILESN#CCc1cc(C(F)(F)F)ccc1-c1ccncc1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)12-1-2-13(11(9-12)3-6-18)10-4-7-19-8-5-10/h1-2,4-5,7-9H,3H2
InChIKeyILMLAJVESURYFM-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.83
Rot. Bonds2

About 2-[2-pyridin-4-yl-5-(trifluoromethyl)phenyl]acetonitrile

2-[2-pyridin-4-yl-5-(trifluoromethyl)phenyl]acetonitrile (PubChem CID 46316258) has the molecular formula C14H9F3N2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[2-pyridin-4-yl-5-(trifluoromethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-pyridin-4-yl-5-(trifluoromethyl)phenyl]acetonitrile
PubChem CID46316258
Molecular FormulaC14H9F3N2
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name2-[2-pyridin-4-yl-5-(trifluoromethyl)phenyl]acetonitrile
SMILESN#CCc1cc(C(F)(F)F)ccc1-c1ccncc1
InChIInChI=1S/C14H9F3N2/c15-14(16,17)12-1-2-13(11(9-12)3-6-18)10-4-7-19-8-5-10/h1-2,4-5,7-9H,3H2
InChIKeyILMLAJVESURYFM-UHFFFAOYSA-N
XLogP3.83
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-pyridin-3-yl-5-(trifluoromethyl)phenyl]acetonitrile
CID 46316257
2-[3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile
CID 134622080
2-[2,5-bis(trifluoromethyl)phenyl]acetonitrile
CID 2773227
2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 118823023
2-[3-pyridin-4-yl-5-(trifluoromethyl)phenyl]acetonitrile
CID 46316264
2-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 134623086
2-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]acetonitrile
CID 118806085
2-[2,6-bis[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 134618326
2-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]acetonitrile
CID 23074381
2-[5-phenyl-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 133096208
2-(5-fluoro-2-phenylphenyl)acetonitrile
CID 46314808
2-ethyl-1-phenyl-4-(trifluoromethyl)benzene
CID 19702469

Frequently Asked Questions

What is the IUPAC name of 2-[2-pyridin-4-yl-5-(trifluoromethyl)phenyl]acetonitrile?
The IUPAC name of 2-[2-pyridin-4-yl-5-(trifluoromethyl)phenyl]acetonitrile (CID 46316258) is 2-[2-pyridin-4-yl-5-(trifluoromethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-pyridin-4-yl-5-(trifluoromethyl)phenyl]acetonitrile?
The canonical SMILES for 2-[2-pyridin-4-yl-5-(trifluoromethyl)phenyl]acetonitrile is N#CCc1cc(C(F)(F)F)ccc1-c1ccncc1.
What is the InChIKey of 2-[2-pyridin-4-yl-5-(trifluoromethyl)phenyl]acetonitrile?
The InChIKey is ILMLAJVESURYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2/c15-14(16,17)12-1-2-13(11(9-12)3-6-18)10-4-7-19-8-5-10/h1-2,4-5,7-9H,3H2.
What are the key properties of 2-[2-pyridin-4-yl-5-(trifluoromethyl)phenyl]acetonitrile?
2-[2-pyridin-4-yl-5-(trifluoromethyl)phenyl]acetonitrile has a molecular weight of 262.23 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-pyridin-4-yl-5-(trifluoromethyl)phenyl]acetonitrile is sourced from PubChem (CID 46316258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).