4,6-dimethylpyridine-2,3,5-tricarbonitrile

C10H6N4 — CID 10511628

IUPAC4,6-dimethylpyridine-2,3,5-tricarbonitrile
SMILESCc1nc(C#N)c(C#N)c(C)c1C#N
InChIInChI=1S/C10H6N4/c1-6-8(3-11)7(2)14-10(5-13)9(6)4-12/h1-2H3
InChIKeyZCJWVVQEHJTYMW-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.31
Rot. Bonds

About 4,6-dimethylpyridine-2,3,5-tricarbonitrile

4,6-dimethylpyridine-2,3,5-tricarbonitrile (PubChem CID 10511628) has the molecular formula C10H6N4 and a molecular weight of 182.19 g/mol. Its IUPAC name is 4,6-dimethylpyridine-2,3,5-tricarbonitrile.

Molecular Properties

Compound Name4,6-dimethylpyridine-2,3,5-tricarbonitrile
PubChem CID10511628
Molecular FormulaC10H6N4
Molecular Weight182.19 g/mol
Exact Mass182.06
IUPAC Name4,6-dimethylpyridine-2,3,5-tricarbonitrile
SMILESCc1nc(C#N)c(C#N)c(C)c1C#N
InChIInChI=1S/C10H6N4/c1-6-8(3-11)7(2)14-10(5-13)9(6)4-12/h1-2H3
InChIKeyZCJWVVQEHJTYMW-UHFFFAOYSA-N
XLogP1.31
TPSA84.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Dichloro-4,6-dimethylpyridine-3-carbonitrile
CID 334852
2,3,5,6-Tetramethylpyridine
CID 19562
2,6-Dimethylpyridine-4-carbonitrile
CID 12368542
3,5-Didecyl-2,4,6-trimethylpyridine
CID 156015942
2-Methyl-6-(trifluoromethyl)nicotinonitrile
CID 2795908
2,3,4,6-Tetramethylpyridine
CID 88705
2,3,5,6-Pyridinetetracarbonitrile
CID 140262
2,4,6-Trimethyl-3-ethylpyridine
CID 524818
4-Methyl-2-(propan-2-yl)pyridine-3,5-dicarbonitrile
CID 821166
2-Chloro-5H,6H,7H,8H,9H,10H-cycloocta[B]pyridine-3,4-dicarbonitrile
CID 26434376
2-Chloro-4,5,6-trimethyl-3-pyridinecarbonitrile
CID 13849137
6-Fluoro-2-methylpyridine-3-carbonitrile
CID 40418619

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyridine-2,3,5-tricarbonitrile?
The IUPAC name of 4,6-dimethylpyridine-2,3,5-tricarbonitrile (CID 10511628) is 4,6-dimethylpyridine-2,3,5-tricarbonitrile.
What is the SMILES notation for 4,6-dimethylpyridine-2,3,5-tricarbonitrile?
The canonical SMILES for 4,6-dimethylpyridine-2,3,5-tricarbonitrile is Cc1nc(C#N)c(C#N)c(C)c1C#N.
What is the InChIKey of 4,6-dimethylpyridine-2,3,5-tricarbonitrile?
The InChIKey is ZCJWVVQEHJTYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4/c1-6-8(3-11)7(2)14-10(5-13)9(6)4-12/h1-2H3.
What are the key properties of 4,6-dimethylpyridine-2,3,5-tricarbonitrile?
4,6-dimethylpyridine-2,3,5-tricarbonitrile has a molecular weight of 182.19 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylpyridine-2,3,5-tricarbonitrile is sourced from PubChem (CID 10511628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).