2-(3-amino-5-methyl-2-pyridinyl)acetonitrile

C8H9N3 — CID 131170133

IUPAC2-(3-amino-5-methyl-2-pyridinyl)acetonitrile
SMILESCc1cnc(CC#N)c(N)c1
InChIInChI=1S/C8H9N3/c1-6-4-7(10)8(2-3-9)11-5-6/h4-5H,2,10H2,1H3
InChIKeyXSSWMVMQVHOVLP-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.04
Rot. Bonds1

About 2-(3-amino-5-methyl-2-pyridinyl)acetonitrile

2-(3-amino-5-methyl-2-pyridinyl)acetonitrile (PubChem CID 131170133) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-(3-amino-5-methyl-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(3-amino-5-methyl-2-pyridinyl)acetonitrile
PubChem CID131170133
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2-(3-amino-5-methyl-2-pyridinyl)acetonitrile
SMILESCc1cnc(CC#N)c(N)c1
InChIInChI=1S/C8H9N3/c1-6-4-7(10)8(2-3-9)11-5-6/h4-5H,2,10H2,1H3
InChIKeyXSSWMVMQVHOVLP-UHFFFAOYSA-N
XLogP1.04
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methyl-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(3-amino-5-methyl-2-pyridinyl)acetonitrile (CID 131170133) is 2-(3-amino-5-methyl-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(3-amino-5-methyl-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(3-amino-5-methyl-2-pyridinyl)acetonitrile is Cc1cnc(CC#N)c(N)c1.
What is the InChIKey of 2-(3-amino-5-methyl-2-pyridinyl)acetonitrile?
The InChIKey is XSSWMVMQVHOVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-6-4-7(10)8(2-3-9)11-5-6/h4-5H,2,10H2,1H3.
What are the key properties of 2-(3-amino-5-methyl-2-pyridinyl)acetonitrile?
2-(3-amino-5-methyl-2-pyridinyl)acetonitrile has a molecular weight of 147.18 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methyl-2-pyridinyl)acetonitrile is sourced from PubChem (CID 131170133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).