2-amino-4-methyl-1H-pyridine-2-carbonitrile

C7H9N3 — CID 18688661

IUPAC2-amino-4-methyl-1H-pyridine-2-carbonitrile
SMILESCC1=CC(N)(C#N)NC=C1
InChIInChI=1S/C7H9N3/c1-6-2-3-10-7(9,4-6)5-8/h2-4,10H,9H2,1H3
InChIKeyUASHETSHVZKZHH-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.23
Rot. Bonds

About 2-amino-4-methyl-1H-pyridine-2-carbonitrile

2-amino-4-methyl-1H-pyridine-2-carbonitrile (PubChem CID 18688661) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-amino-4-methyl-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name2-amino-4-methyl-1H-pyridine-2-carbonitrile
PubChem CID18688661
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name2-amino-4-methyl-1H-pyridine-2-carbonitrile
SMILESCC1=CC(N)(C#N)NC=C1
InChIInChI=1S/C7H9N3/c1-6-2-3-10-7(9,4-6)5-8/h2-4,10H,9H2,1H3
InChIKeyUASHETSHVZKZHH-UHFFFAOYSA-N
XLogP0.23
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-1H-pyridine-2-carbonitrile?
The IUPAC name of 2-amino-4-methyl-1H-pyridine-2-carbonitrile (CID 18688661) is 2-amino-4-methyl-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 2-amino-4-methyl-1H-pyridine-2-carbonitrile?
The canonical SMILES for 2-amino-4-methyl-1H-pyridine-2-carbonitrile is CC1=CC(N)(C#N)NC=C1.
What is the InChIKey of 2-amino-4-methyl-1H-pyridine-2-carbonitrile?
The InChIKey is UASHETSHVZKZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-6-2-3-10-7(9,4-6)5-8/h2-4,10H,9H2,1H3.
What are the key properties of 2-amino-4-methyl-1H-pyridine-2-carbonitrile?
2-amino-4-methyl-1H-pyridine-2-carbonitrile has a molecular weight of 135.17 g/mol, XLogP of 0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 18688661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).