2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile

C15H8F6N2O — CID 134622062

IUPAC2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)(F)F)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H8F6N2O/c16-14(17,18)13-6-5-11(12(23-13)7-8-22)9-1-3-10(4-2-9)24-15(19,20)21/h1-6H,7H2
InChIKeyQXRHDJKUYPRQKV-UHFFFAOYSA-N
MW346.23 g/mol
LogP4.73
Rot. Bonds3

About 2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile

2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 134622062) has the molecular formula C15H8F6N2O and a molecular weight of 346.23 g/mol. Its IUPAC name is 2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID134622062
Molecular FormulaC15H8F6N2O
Molecular Weight346.23 g/mol
Exact Mass346.05
IUPAC Name2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(C(F)(F)F)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H8F6N2O/c16-14(17,18)13-6-5-11(12(23-13)7-8-22)9-1-3-10(4-2-9)24-15(19,20)21/h1-6H,7H2
InChIKeyQXRHDJKUYPRQKV-UHFFFAOYSA-N
XLogP4.73
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,6-bis[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094083
2-[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]acetonitrile
CID 118806085
2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 125129561
2-[2,5-bis[4-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 133094062
2-[2-chloro-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 119011409
2-[4-chloro-3-[4-(trifluoromethoxy)phenyl]phenyl]acetonitrile
CID 134631021
2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131869856
4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 118799175
2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid
CID 134631328
2-[6-chloro-3-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094133
2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131869791
4-nitro-1-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
CID 86094926

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 134622062) is 2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1nc(C(F)(F)F)ccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is QXRHDJKUYPRQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6N2O/c16-14(17,18)13-6-5-11(12(23-13)7-8-22)9-1-3-10(4-2-9)24-15(19,20)21/h1-6H,7H2.
What are the key properties of 2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 346.23 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 134622062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).