4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile

C16H13N3O — CID 3721414

IUPAC4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
SMILESCOc1ccccc1-c1c(C#N)c(C)nc(C)c1C#N
InChIInChI=1S/C16H13N3O/c1-10-13(8-17)16(14(9-18)11(2)19-10)12-6-4-5-7-15(12)20-3/h4-7H,1-3H3
InChIKeyVKYJJFNBPMZSEQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.12
Rot. Bonds2

About 4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile

4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile (PubChem CID 3721414) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
PubChem CID3721414
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
SMILESCOc1ccccc1-c1c(C#N)c(C)nc(C)c1C#N
InChIInChI=1S/C16H13N3O/c1-10-13(8-17)16(14(9-18)11(2)19-10)12-6-4-5-7-15(12)20-3/h4-7H,1-3H3
InChIKeyVKYJJFNBPMZSEQ-UHFFFAOYSA-N
XLogP3.12
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile?
The IUPAC name of 4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile (CID 3721414) is 4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile is COc1ccccc1-c1c(C#N)c(C)nc(C)c1C#N.
What is the InChIKey of 4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile?
The InChIKey is VKYJJFNBPMZSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-10-13(8-17)16(14(9-18)11(2)19-10)12-6-4-5-7-15(12)20-3/h4-7H,1-3H3.
What are the key properties of 4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile?
4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile has a molecular weight of 263.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 3721414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).