4-[(E)-(3-methyl-2-pyridinyl)iminomethyl]benzonitrile

C14H11N3 — CID 11195390

IUPAC4-[(E)-(3-methyl-2-pyridinyl)iminomethyl]benzonitrile
SMILESCc1cccnc1/N=C/c1ccc(C#N)cc1
InChIInChI=1S/C14H11N3/c1-11-3-2-8-16-14(11)17-10-13-6-4-12(9-15)5-7-13/h2-8,10H,1H3/b17-10+
InChIKeyUMLJIFFRBCFTNA-LICLKQGHSA-N
MW221.26 g/mol
LogP3.01
Rot. Bonds2

About 4-[(E)-(3-methyl-2-pyridinyl)iminomethyl]benzonitrile

4-[(E)-(3-methyl-2-pyridinyl)iminomethyl]benzonitrile (PubChem CID 11195390) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-[(E)-(3-methyl-2-pyridinyl)iminomethyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-(3-methyl-2-pyridinyl)iminomethyl]benzonitrile
PubChem CID11195390
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name4-[(E)-(3-methyl-2-pyridinyl)iminomethyl]benzonitrile
SMILESCc1cccnc1/N=C/c1ccc(C#N)cc1
InChIInChI=1S/C14H11N3/c1-11-3-2-8-16-14(11)17-10-13-6-4-12(9-15)5-7-13/h2-8,10H,1H3/b17-10+
InChIKeyUMLJIFFRBCFTNA-LICLKQGHSA-N
XLogP3.01
TPSA49.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methoxy-4-pyridinyl)iminomethyl]benzonitrile
CID 86728655
4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile
CID 4529137
5-methyl-4-[(3-methyl-2-pyridinyl)iminomethyl]-1,2-dihydropyrazol-3-one
CID 4893037
4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 60704932
4-(ethyliminomethyl)benzonitrile
CID 12927009
4-[(4-ethylphenyl)iminomethyl]benzonitrile
CID 23167748
4-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 142825891
2-methoxy-6-[(3-methyl-2-pyridinyl)iminomethyl]phenol
CID 564866
4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 165433162
4-[(2-methyl-5-nitrophenyl)iminomethyl]benzonitrile
CID 622181
sodium 4-[(Z)-oxidoiminomethyl]benzonitrile
CID 101116891
4-[(3,5-dimethoxyphenyl)iminomethyl]benzonitrile
CID 86728880

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(3-methyl-2-pyridinyl)iminomethyl]benzonitrile?
The IUPAC name of 4-[(E)-(3-methyl-2-pyridinyl)iminomethyl]benzonitrile (CID 11195390) is 4-[(E)-(3-methyl-2-pyridinyl)iminomethyl]benzonitrile.
What is the SMILES notation for 4-[(E)-(3-methyl-2-pyridinyl)iminomethyl]benzonitrile?
The canonical SMILES for 4-[(E)-(3-methyl-2-pyridinyl)iminomethyl]benzonitrile is Cc1cccnc1/N=C/c1ccc(C#N)cc1.
What is the InChIKey of 4-[(E)-(3-methyl-2-pyridinyl)iminomethyl]benzonitrile?
The InChIKey is UMLJIFFRBCFTNA-LICLKQGHSA-N. The full InChI is InChI=1S/C14H11N3/c1-11-3-2-8-16-14(11)17-10-13-6-4-12(9-15)5-7-13/h2-8,10H,1H3/b17-10+.
What are the key properties of 4-[(E)-(3-methyl-2-pyridinyl)iminomethyl]benzonitrile?
4-[(E)-(3-methyl-2-pyridinyl)iminomethyl]benzonitrile has a molecular weight of 221.26 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(3-methyl-2-pyridinyl)iminomethyl]benzonitrile is sourced from PubChem (CID 11195390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).