4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile

C18H13N3 — CID 14231171

IUPAC4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile
SMILESN#Cc1ccc(C(c2ccncc2)c2cccnc2)cc1
InChIInChI=1S/C18H13N3/c19-12-14-3-5-15(6-4-14)18(16-7-10-20-11-8-16)17-2-1-9-21-13-17/h1-11,13,18H
InChIKeyZZIQMOKJHWSHPI-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.53
Rot. Bonds3

About 4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile

4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile (PubChem CID 14231171) has the molecular formula C18H13N3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile
PubChem CID14231171
Molecular FormulaC18H13N3
Molecular Weight271.32 g/mol
Exact Mass271.11
IUPAC Name4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile
SMILESN#Cc1ccc(C(c2ccncc2)c2cccnc2)cc1
InChIInChI=1S/C18H13N3/c19-12-14-3-5-15(6-4-14)18(16-7-10-20-11-8-16)17-2-1-9-21-13-17/h1-11,13,18H
InChIKeyZZIQMOKJHWSHPI-UHFFFAOYSA-N
XLogP3.53
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pheniramine
CID 4761
Paraquat
CID 15939
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651
4,4'-Bipyridine
CID 11107
3-Phenylpyridine
CID 13886
4-(3-Phenylpropyl)pyridine
CID 74937
2,3'-Bipyridine
CID 11389
4-Benzylpyridine
CID 16458
1,3-Bis(4-pyridyl)propane
CID 87019
1-Methyl-4-phenylpyridinium
CID 39484
3-Benzhydrylpyridine
CID 77251

Frequently Asked Questions

What is the IUPAC name of 4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile?
The IUPAC name of 4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile (CID 14231171) is 4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile?
The canonical SMILES for 4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile is N#Cc1ccc(C(c2ccncc2)c2cccnc2)cc1.
What is the InChIKey of 4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile?
The InChIKey is ZZIQMOKJHWSHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3/c19-12-14-3-5-15(6-4-14)18(16-7-10-20-11-8-16)17-2-1-9-21-13-17/h1-11,13,18H.
What are the key properties of 4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile?
4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile has a molecular weight of 271.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[pyridin-3-yl(pyridin-4-yl)methyl]benzonitrile is sourced from PubChem (CID 14231171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).