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

C14H8ClF3N2 — CID 134630807

IUPAC2-[6-chloro-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(Cl)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8ClF3N2/c15-12-6-5-9(7-8-19)13(20-12)10-3-1-2-4-11(10)14(16,17)18/h1-6H,7H2
InChIKeyLDTRSEPMZJRPPW-UHFFFAOYSA-N
MW296.68 g/mol
LogP4.49
Rot. Bonds2

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

2-[6-chloro-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile (PubChem CID 134630807) has the molecular formula C14H8ClF3N2 and a molecular weight of 296.68 g/mol. Its IUPAC name is 2-[6-chloro-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-chloro-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
PubChem CID134630807
Molecular FormulaC14H8ClF3N2
Molecular Weight296.68 g/mol
Exact Mass296.03
IUPAC Name2-[6-chloro-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
SMILESN#CCc1ccc(Cl)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8ClF3N2/c15-12-6-5-9(7-8-19)13(20-12)10-3-1-2-4-11(10)14(16,17)18/h1-6H,7H2
InChIKeyLDTRSEPMZJRPPW-UHFFFAOYSA-N
XLogP4.49
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 134629149
2-[5-amino-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134623963
2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 118823023
2-[6-chloro-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134630938
2-[3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 118996851
2-[5-(trifluoromethyl)naphthalen-1-yl]acetonitrile
CID 118836007
2,6-dichloro-3-[[2-(trifluoromethyl)phenoxy]methyl]pyridine
CID 106994341
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-[6-chloro-3-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094133
4-[2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]benzonitrile
CID 57044335
2-[5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134628875
2-[3,5-bis[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134623346

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-chloro-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile (CID 134630807) is 2-[6-chloro-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-chloro-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-chloro-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile is N#CCc1ccc(Cl)nc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[6-chloro-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile?
The InChIKey is LDTRSEPMZJRPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2/c15-12-6-5-9(7-8-19)13(20-12)10-3-1-2-4-11(10)14(16,17)18/h1-6H,7H2.
What are the key properties of 2-[6-chloro-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile?
2-[6-chloro-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile has a molecular weight of 296.68 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile is sourced from PubChem (CID 134630807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).