2-(2,6-dimethyl-3H-pyridin-4-ylidene)propanedinitrile

C10H9N3 — CID 91110057

IUPAC2-(2,6-dimethyl-3H-pyridin-4-ylidene)propanedinitrile
SMILESCC1=CC(=C(C#N)C#N)CC(C)=N1
InChIInChI=1S/C10H9N3/c1-7-3-9(4-8(2)13-7)10(5-11)6-12/h3H,4H2,1-2H3
InChIKeyYCVBJXDZCAOPMP-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.10
Rot. Bonds

About 2-(2,6-dimethyl-3H-pyridin-4-ylidene)propanedinitrile

2-(2,6-dimethyl-3H-pyridin-4-ylidene)propanedinitrile (PubChem CID 91110057) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(2,6-dimethyl-3H-pyridin-4-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(2,6-dimethyl-3H-pyridin-4-ylidene)propanedinitrile
PubChem CID91110057
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name2-(2,6-dimethyl-3H-pyridin-4-ylidene)propanedinitrile
SMILESCC1=CC(=C(C#N)C#N)CC(C)=N1
InChIInChI=1S/C10H9N3/c1-7-3-9(4-8(2)13-7)10(5-11)6-12/h3H,4H2,1-2H3
InChIKeyYCVBJXDZCAOPMP-UHFFFAOYSA-N
XLogP2.10
TPSA59.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-fluoro-2-methyl-4H-cyclohepta[b]pyridine-7-carbonitrile
CID 170178064
(E)-3-fluoro-2-methylidene-4-(pentan-2-ylideneamino)pent-3-enenitrile
CID 168972414
(2Z)-2-(pentan-2-ylideneamino)-4-(trifluoromethyl)penta-2,4-dienenitrile
CID 168972567
11H-benzo[d][1]benzazepine-6-carbonitrile
CID 71306945
N-[(4E)-3-methylocta-1,2,4-trien-4-yl]propanimidoyl cyanide
CID 91044419
(2Z,4Z)-2-methyl-3-[C-methyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]carbonimidoyl]hexa-2,4-dienenitrile
CID 126661668
6-methyl-3-[(1Z)-3-methylbuta-1,3-dienyl]imino-4H-pyridine-2-carbonitrile
CID 132239983
2-Methylidene-5-propylpyrrole-3-carbonitrile
CID 135248170
(E)-4-methyl-2-propan-2-ylidene-5-prop-1-en-2-yliminohex-3-enenitrile;propane
CID 142562020
(3E)-2,6-dimethyl-4-methylidene-3-prop-2-enylidenepyridine
CID 145283545
7-methyl-8H-cyclohepta[b]pyridine-2-carbonitrile
CID 145572250
7-methyl-6H-cyclohepta[b]pyridine-2-carbonitrile
CID 146351614

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-3H-pyridin-4-ylidene)propanedinitrile?
The IUPAC name of 2-(2,6-dimethyl-3H-pyridin-4-ylidene)propanedinitrile (CID 91110057) is 2-(2,6-dimethyl-3H-pyridin-4-ylidene)propanedinitrile.
What is the SMILES notation for 2-(2,6-dimethyl-3H-pyridin-4-ylidene)propanedinitrile?
The canonical SMILES for 2-(2,6-dimethyl-3H-pyridin-4-ylidene)propanedinitrile is CC1=CC(=C(C#N)C#N)CC(C)=N1.
What is the InChIKey of 2-(2,6-dimethyl-3H-pyridin-4-ylidene)propanedinitrile?
The InChIKey is YCVBJXDZCAOPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-7-3-9(4-8(2)13-7)10(5-11)6-12/h3H,4H2,1-2H3.
What are the key properties of 2-(2,6-dimethyl-3H-pyridin-4-ylidene)propanedinitrile?
2-(2,6-dimethyl-3H-pyridin-4-ylidene)propanedinitrile has a molecular weight of 171.20 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-3H-pyridin-4-ylidene)propanedinitrile is sourced from PubChem (CID 91110057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).