2-(6-chloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]acetonitrile

C14H8ClF3N2O — CID 56604890

IUPAC2-(6-chloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]acetonitrile
SMILESN#CC(c1cccc(Cl)n1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H8ClF3N2O/c15-13-7-3-5-11(20-13)10(8-19)9-4-1-2-6-12(9)21-14(16,17)18/h1-7,10H
InChIKeyNGSCDHFZOLWJNA-UHFFFAOYSA-N
MW312.68 g/mol
LogP4.29
Rot. Bonds3

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

2-(6-chloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]acetonitrile (PubChem CID 56604890) has the molecular formula C14H8ClF3N2O and a molecular weight of 312.68 g/mol. Its IUPAC name is 2-(6-chloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-(6-chloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]acetonitrile
PubChem CID56604890
Molecular FormulaC14H8ClF3N2O
Molecular Weight312.68 g/mol
Exact Mass312.03
IUPAC Name2-(6-chloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]acetonitrile
SMILESN#CC(c1cccc(Cl)n1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H8ClF3N2O/c15-13-7-3-5-11(20-13)10(8-19)9-4-1-2-6-12(9)21-14(16,17)18/h1-7,10H
InChIKeyNGSCDHFZOLWJNA-UHFFFAOYSA-N
XLogP4.29
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 54.29
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-(6-Chloropyridin-2-yl)-2-(2-methoxyphenyl)acetonitrile
CID 3713668
4-(4-Chlorophenyl)-2-methoxy-6-phenylpyridine-3-carbonitrile
CID 678564
2-Chloro-6-(4-methoxyphenyl)nicotinonitrile
CID 2768878
2-(4-Chloro-2-methylphenoxy)-6-(4-fluorophenyl)pyridine-3-carbonitrile
CID 2765294
4,6-Bis(4-chlorophenyl)-2-methoxynicotinonitrile
CID 1811493
6-(4-Chlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carbonitrile
CID 2765245
6-(2-Chlorophenyl)-2-methoxynicotinonitrile
CID 2768877
6-(2-Chlorophenyl)-2-ethoxypyridine-3-carbonitrile
CID 2768886
2-[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetonitrile
CID 56604816
6-[Cyano-[2-(trifluoromethoxy)phenyl]methyl]-3-methylpyridine-2-carbonitrile
CID 56604825
2-(4-Fluorophenyl)-2-(6-methoxy-2-pyridinyl)acetonitrile
CID 56604854
6-[Cyano-[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carbonitrile
CID 56604855

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]acetonitrile?
The IUPAC name of 2-(6-chloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]acetonitrile (CID 56604890) is 2-(6-chloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-(6-chloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]acetonitrile?
The canonical SMILES for 2-(6-chloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]acetonitrile is N#CC(c1cccc(Cl)n1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(6-chloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]acetonitrile?
The InChIKey is NGSCDHFZOLWJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O/c15-13-7-3-5-11(20-13)10(8-19)9-4-1-2-6-12(9)21-14(16,17)18/h1-7,10H.
What are the key properties of 2-(6-chloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]acetonitrile?
2-(6-chloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]acetonitrile has a molecular weight of 312.68 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-pyridinyl)-2-[2-(trifluoromethoxy)phenyl]acetonitrile is sourced from PubChem (CID 56604890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).