2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile

C13H9FN2 — CID 131869813

IUPAC2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile
SMILESN#CCc1ccnc(F)c1-c1ccccc1
InChIInChI=1S/C13H9FN2/c14-13-12(10-4-2-1-3-5-10)11(6-8-15)7-9-16-13/h1-5,7,9H,6H2
InChIKeyRQQLYODEEBMTPA-UHFFFAOYSA-N
MW212.23 g/mol
LogP2.95
Rot. Bonds2

About 2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile

2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile (PubChem CID 131869813) has the molecular formula C13H9FN2 and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile
PubChem CID131869813
Molecular FormulaC13H9FN2
Molecular Weight212.23 g/mol
Exact Mass212.07
IUPAC Name2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile
SMILESN#CCc1ccnc(F)c1-c1ccccc1
InChIInChI=1S/C13H9FN2/c14-13-12(10-4-2-1-3-5-10)11(6-8-15)7-9-16-13/h1-5,7,9H,6H2
InChIKeyRQQLYODEEBMTPA-UHFFFAOYSA-N
XLogP2.95
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 52.95
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-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870263
2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile
CID 119012419
2-(2-fluoro-5-phenyl-3-pyridinyl)acetonitrile
CID 131870328
2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 133093930
2-(2,3-diphenylphenyl)acetonitrile
CID 151704246
2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile
CID 133095599
2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 133094891
2-(2-fluoro-5-phenyl-4-pyridinyl)acetonitrile
CID 131870326
2-(6-fluoro-2-phenyl-3-pyridinyl)acetonitrile
CID 131870107
2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetonitrile
CID 134618427
2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094384
2-[2,3-bis(4-methylphenyl)-4-phenylphenyl]acetonitrile
CID 140515655

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile?
The IUPAC name of 2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile (CID 131869813) is 2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile?
The canonical SMILES for 2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile is N#CCc1ccnc(F)c1-c1ccccc1.
What is the InChIKey of 2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile?
The InChIKey is RQQLYODEEBMTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2/c14-13-12(10-4-2-1-3-5-10)11(6-8-15)7-9-16-13/h1-5,7,9H,6H2.
What are the key properties of 2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile?
2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile has a molecular weight of 212.23 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile is sourced from PubChem (CID 131869813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).