4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile

C13H10N4 — CID 4529137

IUPAC4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile
SMILESN#Cc1ccc(C=NNc2ccccn2)cc1
InChIInChI=1S/C13H10N4/c14-9-11-4-6-12(7-5-11)10-16-17-13-3-1-2-8-15-13/h1-8,10H,(H,15,17)
InChIKeySKIDXQCKHKSLJA-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.40
Rot. Bonds3

About 4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile

4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile (PubChem CID 4529137) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile
PubChem CID4529137
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile
SMILESN#Cc1ccc(C=NNc2ccccn2)cc1
InChIInChI=1S/C13H10N4/c14-9-11-4-6-12(7-5-11)10-16-17-13-3-1-2-8-15-13/h1-8,10H,(H,15,17)
InChIKeySKIDXQCKHKSLJA-UHFFFAOYSA-N
XLogP2.40
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(quinolin-2-ylhydrazinylidene)methyl]benzonitrile
CID 3537773
N-[(3,4-dichlorophenyl)methylideneamino]pyridin-2-amine
CID 3937585
4-[(pyridin-2-ylhydrazinylidene)methyl]benzenecarbothioamide
CID 4551729
N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]pyridin-2-amine
CID 110505657
2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439965
2-methoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3709889
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzonitrile
CID 5099485
1-(4-cyanophenyl)-3-pyridin-2-ylurea
CID 108894633
2-ethoxy-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 3384370
N-[(4-bromo-3-nitrophenyl)methylideneamino]pyridin-2-amine
CID 84888865
3-chloro-5-[(E)-(pyridin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
CID 135747793
N-[(E)-[9-[(E)-(pyridin-2-ylhydrazinylidene)methyl]-1,10-phenanthrolin-2-yl]methylideneamino]pyridin-2-amine
CID 56695626

Frequently Asked Questions

What is the IUPAC name of 4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile?
The IUPAC name of 4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile (CID 4529137) is 4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile.
What is the SMILES notation for 4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile?
The canonical SMILES for 4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile is N#Cc1ccc(C=NNc2ccccn2)cc1.
What is the InChIKey of 4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile?
The InChIKey is SKIDXQCKHKSLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c14-9-11-4-6-12(7-5-11)10-16-17-13-3-1-2-8-15-13/h1-8,10H,(H,15,17).
What are the key properties of 4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile?
4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile has a molecular weight of 222.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(pyridin-2-ylhydrazinylidene)methyl]benzonitrile is sourced from PubChem (CID 4529137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).