2-[(4-fluorophenyl)methyl]-2-pyridin-2-ylpropanedinitrile

C15H10FN3 — CID 134106391

IUPAC2-[(4-fluorophenyl)methyl]-2-pyridin-2-ylpropanedinitrile
SMILESN#CC(C#N)(Cc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C15H10FN3/c16-13-6-4-12(5-7-13)9-15(10-17,11-18)14-3-1-2-8-19-14/h1-8H,9H2
InChIKeyXDNDPKHLVDQATP-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.75
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-2-pyridin-2-ylpropanedinitrile

2-[(4-fluorophenyl)methyl]-2-pyridin-2-ylpropanedinitrile (PubChem CID 134106391) has the molecular formula C15H10FN3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-2-pyridin-2-ylpropanedinitrile.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-2-pyridin-2-ylpropanedinitrile
PubChem CID134106391
Molecular FormulaC15H10FN3
Molecular Weight251.26 g/mol
Exact Mass251.09
IUPAC Name2-[(4-fluorophenyl)methyl]-2-pyridin-2-ylpropanedinitrile
SMILESN#CC(C#N)(Cc1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C15H10FN3/c16-13-6-4-12(5-7-13)9-15(10-17,11-18)14-3-1-2-8-19-14/h1-8H,9H2
InChIKeyXDNDPKHLVDQATP-UHFFFAOYSA-N
XLogP2.75
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-fluorophenyl)-2,3,3-trimethylbutan-2-yl]pyridine
CID 155036452
(2S)-3-[4-[(2R)-2-cyano-2-phenyl-2-pyridin-2-ylethyl]phenyl]-2-phenyl-2-pyridin-2-ylpropanenitrile
CID 92530275
2,2-dichloro-3-(4-fluorophenyl)propanenitrile
CID 54200981
2-ethyl-2-[(4-fluorophenyl)methyl]butanenitrile
CID 82111083
1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine
CID 165485022
2-fluoro-5-[2-(4-fluorophenyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]pyridine
CID 91302011
3-hydroxy-2-phenyl-2-pyridin-2-ylpropanenitrile
CID 23339927
2-phenyl-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanedinitrile
CID 74221714
2-(2-amino-3-pyridinyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833119
fluoro(pyridin-2-yl)methanediamine
CID 67406744
tetrakis(acetonitrile);cobalt(2+);bis(2-(1,1-dipyridin-2-ylethyl)pyridine);diperchlorate
CID 139165388
2-[1,1-bis(methylsulfanyl)-2-phenylethyl]pyridine
CID 23584919

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-2-pyridin-2-ylpropanedinitrile?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-2-pyridin-2-ylpropanedinitrile (CID 134106391) is 2-[(4-fluorophenyl)methyl]-2-pyridin-2-ylpropanedinitrile.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-2-pyridin-2-ylpropanedinitrile?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-2-pyridin-2-ylpropanedinitrile is N#CC(C#N)(Cc1ccc(F)cc1)c1ccccn1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-2-pyridin-2-ylpropanedinitrile?
The InChIKey is XDNDPKHLVDQATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3/c16-13-6-4-12(5-7-13)9-15(10-17,11-18)14-3-1-2-8-19-14/h1-8H,9H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-2-pyridin-2-ylpropanedinitrile?
2-[(4-fluorophenyl)methyl]-2-pyridin-2-ylpropanedinitrile has a molecular weight of 251.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-2-pyridin-2-ylpropanedinitrile is sourced from PubChem (CID 134106391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).