2-(6-fluoro-2-phenyl-3-pyridinyl)acetonitrile

C13H9FN2 — CID 131870107

IUPAC2-(6-fluoro-2-phenyl-3-pyridinyl)acetonitrile
SMILESN#CCc1ccc(F)nc1-c1ccccc1
InChIInChI=1S/C13H9FN2/c14-12-7-6-11(8-9-15)13(16-12)10-4-2-1-3-5-10/h1-7H,8H2
InChIKeySXQDJLRKZMBHQX-UHFFFAOYSA-N
MW212.23 g/mol
LogP2.95
Rot. Bonds2

About 2-(6-fluoro-2-phenyl-3-pyridinyl)acetonitrile

2-(6-fluoro-2-phenyl-3-pyridinyl)acetonitrile (PubChem CID 131870107) has the molecular formula C13H9FN2 and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-(6-fluoro-2-phenyl-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(6-fluoro-2-phenyl-3-pyridinyl)acetonitrile
PubChem CID131870107
Molecular FormulaC13H9FN2
Molecular Weight212.23 g/mol
Exact Mass212.07
IUPAC Name2-(6-fluoro-2-phenyl-3-pyridinyl)acetonitrile
SMILESN#CCc1ccc(F)nc1-c1ccccc1
InChIInChI=1S/C13H9FN2/c14-12-7-6-11(8-9-15)13(16-12)10-4-2-1-3-5-10/h1-7H,8H2
InChIKeySXQDJLRKZMBHQX-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-[6-fluoro-2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 133089773
2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetonitrile
CID 133094241
2-(2-fluoro-5-phenyl-4-pyridinyl)acetonitrile
CID 131870326
2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile
CID 131869813
2-[2,6-bis[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetonitrile
CID 134618326
2-(2-fluoro-5-phenyl-3-pyridinyl)acetonitrile
CID 131870328
2-[1-(2-fluoroethyl)-3-phenylpyrazol-4-yl]acetonitrile
CID 121213709
2-(5-fluoro-2-phenylphenyl)acetonitrile
CID 46314808
2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile
CID 133095599
2-[2-(3-fluorophenyl)-3-pyridinyl]acetonitrile
CID 117001885
2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile
CID 119012419
2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile
CID 119004765

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-phenyl-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(6-fluoro-2-phenyl-3-pyridinyl)acetonitrile (CID 131870107) is 2-(6-fluoro-2-phenyl-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(6-fluoro-2-phenyl-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(6-fluoro-2-phenyl-3-pyridinyl)acetonitrile is N#CCc1ccc(F)nc1-c1ccccc1.
What is the InChIKey of 2-(6-fluoro-2-phenyl-3-pyridinyl)acetonitrile?
The InChIKey is SXQDJLRKZMBHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2/c14-12-7-6-11(8-9-15)13(16-12)10-4-2-1-3-5-10/h1-7H,8H2.
What are the key properties of 2-(6-fluoro-2-phenyl-3-pyridinyl)acetonitrile?
2-(6-fluoro-2-phenyl-3-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-(6-fluoro-2-phenyl-3-pyridinyl)acetonitrile is sourced from PubChem (CID 131870107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).