2-(3-amino-2-methyl-6-oxo-1-pyridinyl)acetonitrile

C8H9N3O — CID 130571785

IUPAC2-(3-amino-2-methyl-6-oxo-1-pyridinyl)acetonitrile
SMILESCc1c(N)ccc(=O)n1CC#N
InChIInChI=1S/C8H9N3O/c1-6-7(10)2-3-8(12)11(6)5-4-9/h2-3H,5,10H2,1H3
InChIKeyOXVCRKDMHKEUBQ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.26
Rot. Bonds1

About 2-(3-amino-2-methyl-6-oxo-1-pyridinyl)acetonitrile

2-(3-amino-2-methyl-6-oxo-1-pyridinyl)acetonitrile (PubChem CID 130571785) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-(3-amino-2-methyl-6-oxo-1-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(3-amino-2-methyl-6-oxo-1-pyridinyl)acetonitrile
PubChem CID130571785
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2-(3-amino-2-methyl-6-oxo-1-pyridinyl)acetonitrile
SMILESCc1c(N)ccc(=O)n1CC#N
InChIInChI=1S/C8H9N3O/c1-6-7(10)2-3-8(12)11(6)5-4-9/h2-3H,5,10H2,1H3
InChIKeyOXVCRKDMHKEUBQ-UHFFFAOYSA-N
XLogP0.26
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methyl-6-oxo-1-pyridinyl)acetonitrile?
The IUPAC name of 2-(3-amino-2-methyl-6-oxo-1-pyridinyl)acetonitrile (CID 130571785) is 2-(3-amino-2-methyl-6-oxo-1-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(3-amino-2-methyl-6-oxo-1-pyridinyl)acetonitrile?
The canonical SMILES for 2-(3-amino-2-methyl-6-oxo-1-pyridinyl)acetonitrile is Cc1c(N)ccc(=O)n1CC#N.
What is the InChIKey of 2-(3-amino-2-methyl-6-oxo-1-pyridinyl)acetonitrile?
The InChIKey is OXVCRKDMHKEUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-6-7(10)2-3-8(12)11(6)5-4-9/h2-3H,5,10H2,1H3.
What are the key properties of 2-(3-amino-2-methyl-6-oxo-1-pyridinyl)acetonitrile?
2-(3-amino-2-methyl-6-oxo-1-pyridinyl)acetonitrile has a molecular weight of 163.18 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methyl-6-oxo-1-pyridinyl)acetonitrile is sourced from PubChem (CID 130571785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).