2-[2-(4-fluorophenyl)-4-pyridinyl]acetonitrile

C13H9FN2 — CID 117001916

IUPAC2-[2-(4-fluorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H9FN2/c14-12-3-1-11(2-4-12)13-9-10(5-7-15)6-8-16-13/h1-4,6,8-9H,5H2
InChIKeyGXYWHUPKSMTQGA-UHFFFAOYSA-N
MW212.23 g/mol
LogP2.95
Rot. Bonds2

About 2-[2-(4-fluorophenyl)-4-pyridinyl]acetonitrile

2-[2-(4-fluorophenyl)-4-pyridinyl]acetonitrile (PubChem CID 117001916) has the molecular formula C13H9FN2 and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-4-pyridinyl]acetonitrile
PubChem CID117001916
Molecular FormulaC13H9FN2
Molecular Weight212.23 g/mol
Exact Mass212.07
IUPAC Name2-[2-(4-fluorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H9FN2/c14-12-3-1-11(2-4-12)13-9-10(5-7-15)6-8-16-13/h1-4,6,8-9H,5H2
InChIKeyGXYWHUPKSMTQGA-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

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Related Compounds

2-[2-(2-fluorophenyl)-4-pyridinyl]acetonitrile
CID 117001914
4-benzyl-2-(4-fluorophenyl)pyridine
CID 162708320
2-[2-(2,4,6-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 118847553
2-(2-amino-4-pyridinyl)acetonitrile
CID 45382143
4-benzyl-2-[3-(4-fluorophenyl)phenyl]pyridine
CID 162709839
2-(2-trimethylsilyl-4-pyridinyl)acetonitrile
CID 175447019
3-[4-(4-fluorophenyl)pyrimidin-2-yl]propanenitrile
CID 116901086
2-(2-nitro-4-pyridinyl)acetonitrile
CID 142662159
2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile
CID 14461233
4-(4-benzyl-2-pyridinyl)benzonitrile
CID 162708682
2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131869856
N-[2-[2-(4-fluorophenyl)-4-pyridinyl]ethylideneamino]pyrimidin-5-amine
CID 67535147

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-(4-fluorophenyl)-4-pyridinyl]acetonitrile (CID 117001916) is 2-[2-(4-fluorophenyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-(4-fluorophenyl)-4-pyridinyl]acetonitrile is N#CCc1ccnc(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-4-pyridinyl]acetonitrile?
The InChIKey is GXYWHUPKSMTQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2/c14-12-3-1-11(2-4-12)13-9-10(5-7-15)6-8-16-13/h1-4,6,8-9H,5H2.
What are the key properties of 2-[2-(4-fluorophenyl)-4-pyridinyl]acetonitrile?
2-[2-(4-fluorophenyl)-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-(4-fluorophenyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 117001916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).