2-amino-4,5-dimethylpyridine-3-carbonitrile

C8H9N3 — CID 90296601

IUPAC2-amino-4,5-dimethylpyridine-3-carbonitrile
SMILESCc1cnc(N)c(C#N)c1C
InChIInChI=1S/C8H9N3/c1-5-4-11-8(10)7(3-9)6(5)2/h4H,1-2H3,(H2,10,11)
InChIKeyMFHMDGUYIOFEIS-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.15
Rot. Bonds

About 2-amino-4,5-dimethylpyridine-3-carbonitrile

2-amino-4,5-dimethylpyridine-3-carbonitrile (PubChem CID 90296601) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-amino-4,5-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4,5-dimethylpyridine-3-carbonitrile
PubChem CID90296601
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2-amino-4,5-dimethylpyridine-3-carbonitrile
SMILESCc1cnc(N)c(C#N)c1C
InChIInChI=1S/C8H9N3/c1-5-4-11-8(10)7(3-9)6(5)2/h4H,1-2H3,(H2,10,11)
InChIKeyMFHMDGUYIOFEIS-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 2-amino-4,5-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4,5-dimethylpyridine-3-carbonitrile (CID 90296601) is 2-amino-4,5-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4,5-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4,5-dimethylpyridine-3-carbonitrile is Cc1cnc(N)c(C#N)c1C.
What is the InChIKey of 2-amino-4,5-dimethylpyridine-3-carbonitrile?
The InChIKey is MFHMDGUYIOFEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-5-4-11-8(10)7(3-9)6(5)2/h4H,1-2H3,(H2,10,11).
What are the key properties of 2-amino-4,5-dimethylpyridine-3-carbonitrile?
2-amino-4,5-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 2-amino-4,5-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 90296601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).