4-amino-2,6-dimethylpyridine-3-carbonitrile

C8H9N3 — CID 4582971

IUPAC4-amino-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N)c(C#N)c(C)n1
InChIInChI=1S/C8H9N3/c1-5-3-8(10)7(4-9)6(2)11-5/h3H,1-2H3,(H2,10,11)
InChIKeyFHZYXYYDXLXBAS-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.15
Rot. Bonds

About 4-amino-2,6-dimethylpyridine-3-carbonitrile

4-amino-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 4582971) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 4-amino-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2,6-dimethylpyridine-3-carbonitrile
PubChem CID4582971
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name4-amino-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N)c(C#N)c(C)n1
InChIInChI=1S/C8H9N3/c1-5-3-8(10)7(4-9)6(2)11-5/h3H,1-2H3,(H2,10,11)
InChIKeyFHZYXYYDXLXBAS-UHFFFAOYSA-N
XLogP1.15
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-amino-2,6-dimethylpyridine-3-carbonitrile (CID 4582971) is 4-amino-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-amino-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N)c(C#N)c(C)n1.
What is the InChIKey of 4-amino-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is FHZYXYYDXLXBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-5-3-8(10)7(4-9)6(2)11-5/h3H,1-2H3,(H2,10,11).
What are the key properties of 4-amino-2,6-dimethylpyridine-3-carbonitrile?
4-amino-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 147.18 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 4582971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).