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

C14H8F4N2O — CID 133093995

IUPAC2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(-c2ccccc2OC(F)(F)F)nc1F
InChIInChI=1S/C14H8F4N2O/c15-13-9(7-8-19)5-6-11(20-13)10-3-1-2-4-12(10)21-14(16,17)18/h1-6H,7H2
InChIKeyCBADAIXCZYJHGU-UHFFFAOYSA-N
MW296.22 g/mol
LogP3.85
Rot. Bonds3

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

2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile (PubChem CID 133093995) has the molecular formula C14H8F4N2O and a molecular weight of 296.22 g/mol. Its IUPAC name is 2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
PubChem CID133093995
Molecular FormulaC14H8F4N2O
Molecular Weight296.22 g/mol
Exact Mass296.06
IUPAC Name2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(-c2ccccc2OC(F)(F)F)nc1F
InChIInChI=1S/C14H8F4N2O/c15-13-9(7-8-19)5-6-11(20-13)10-3-1-2-4-12(10)21-14(16,17)18/h1-6H,7H2
InChIKeyCBADAIXCZYJHGU-UHFFFAOYSA-N
XLogP3.85
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 133089327
2-[6-fluoro-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133093982
2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]phenyl]acetonitrile
CID 118822081
2-[5-fluoro-6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094175
4-fluoro-2,6-bis[2-(trifluoromethoxy)phenyl]pyridine
CID 133088911
6-[2-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 134617611
2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile
CID 82452851
2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride
CID 162334552
2-[3-fluoro-5-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 133094183
2-[6-chloro-3-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094133
2-[5-amino-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133086807
2-iodo-6-[2-(trifluoromethoxy)phenyl]pyridine
CID 134620549

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile (CID 133093995) is 2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile is N#CCc1ccc(-c2ccccc2OC(F)(F)F)nc1F.
What is the InChIKey of 2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
The InChIKey is CBADAIXCZYJHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2O/c15-13-9(7-8-19)5-6-11(20-13)10-3-1-2-4-12(10)21-14(16,17)18/h1-6H,7H2.
What are the key properties of 2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile?
2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile has a molecular weight of 296.22 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile is sourced from PubChem (CID 133093995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).