2-(1-cyano-2-iminoethenyl)-6-methylpyridine-3-carbonitrile

C10H6N4 — CID 100974982

IUPAC2-(1-cyano-2-iminoethenyl)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(C(=C=N)C#N)n1
InChIInChI=1S/C10H6N4/c1-7-2-3-8(4-11)10(14-7)9(5-12)6-13/h2-3,12H,1H3
InChIKeyWCZOLOSUJJHSCK-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.42
Rot. Bonds1

About 2-(1-cyano-2-iminoethenyl)-6-methylpyridine-3-carbonitrile

2-(1-cyano-2-iminoethenyl)-6-methylpyridine-3-carbonitrile (PubChem CID 100974982) has the molecular formula C10H6N4 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-(1-cyano-2-iminoethenyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1-cyano-2-iminoethenyl)-6-methylpyridine-3-carbonitrile
PubChem CID100974982
Molecular FormulaC10H6N4
Molecular Weight182.19 g/mol
Exact Mass182.06
IUPAC Name2-(1-cyano-2-iminoethenyl)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(C(=C=N)C#N)n1
InChIInChI=1S/C10H6N4/c1-7-2-3-8(4-11)10(14-7)9(5-12)6-13/h2-3,12H,1H3
InChIKeyWCZOLOSUJJHSCK-UHFFFAOYSA-N
XLogP1.42
TPSA84.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-cyano-2-iminoethenyl)-6-phenylpyridine-3-carbonitrile
CID 100974986
ethane;methyl 3-cyano-6-methylpyridine-2-carboxylate
CID 142574365
N-(3-cyano-6-methyl-2-pyridinyl)acetamide
CID 130007246
2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile
CID 106842221
6-methyl-2-(1-oxo-3-oxa-1λ5-phosphatricyclo[3.1.0.02,6]hexa-2(6),4-dien-4-yl)pyridine-3-carbonitrile
CID 141021915
2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile
CID 55135561
3-fluoro-2-hydroxy-4-methylbenzonitrile
CID 117275995
3-hydroxy-6-methylpyridine-2-carbonitrile
CID 45079462
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile
CID 103174716
3-bromo-2,6-dimethylpyridine;copper(1+);2,6-dimethylpyridine-3-carbonitrile;cyanide
CID 167650233
N'-(3-cyano-6-methyl-2-pyridinyl)-N,N-dimethylmethanimidamide
CID 143498002
2-[(2,5-dimethylpyrrol-1-yl)amino]-6-methylpyridine-3-carbonitrile
CID 79106585

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyano-2-iminoethenyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(1-cyano-2-iminoethenyl)-6-methylpyridine-3-carbonitrile (CID 100974982) is 2-(1-cyano-2-iminoethenyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(1-cyano-2-iminoethenyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(1-cyano-2-iminoethenyl)-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(C(=C=N)C#N)n1.
What is the InChIKey of 2-(1-cyano-2-iminoethenyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is WCZOLOSUJJHSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4/c1-7-2-3-8(4-11)10(14-7)9(5-12)6-13/h2-3,12H,1H3.
What are the key properties of 2-(1-cyano-2-iminoethenyl)-6-methylpyridine-3-carbonitrile?
2-(1-cyano-2-iminoethenyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 182.19 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyano-2-iminoethenyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 100974982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).