2-(3-amino-6-methoxy-2-pyridinyl)acetonitrile

C8H9N3O — CID 14025399

IUPAC2-(3-amino-6-methoxy-2-pyridinyl)acetonitrile
SMILESCOc1ccc(N)c(CC#N)n1
InChIInChI=1S/C8H9N3O/c1-12-8-3-2-6(10)7(11-8)4-5-9/h2-3H,4,10H2,1H3
InChIKeySZTYCWGEOJTSSS-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.74
Rot. Bonds2

About 2-(3-amino-6-methoxy-2-pyridinyl)acetonitrile

2-(3-amino-6-methoxy-2-pyridinyl)acetonitrile (PubChem CID 14025399) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-(3-amino-6-methoxy-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(3-amino-6-methoxy-2-pyridinyl)acetonitrile
PubChem CID14025399
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2-(3-amino-6-methoxy-2-pyridinyl)acetonitrile
SMILESCOc1ccc(N)c(CC#N)n1
InChIInChI=1S/C8H9N3O/c1-12-8-3-2-6(10)7(11-8)4-5-9/h2-3H,4,10H2,1H3
InChIKeySZTYCWGEOJTSSS-UHFFFAOYSA-N
XLogP0.74
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-methoxy-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(3-amino-6-methoxy-2-pyridinyl)acetonitrile (CID 14025399) is 2-(3-amino-6-methoxy-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(3-amino-6-methoxy-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(3-amino-6-methoxy-2-pyridinyl)acetonitrile is COc1ccc(N)c(CC#N)n1.
What is the InChIKey of 2-(3-amino-6-methoxy-2-pyridinyl)acetonitrile?
The InChIKey is SZTYCWGEOJTSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-12-8-3-2-6(10)7(11-8)4-5-9/h2-3H,4,10H2,1H3.
What are the key properties of 2-(3-amino-6-methoxy-2-pyridinyl)acetonitrile?
2-(3-amino-6-methoxy-2-pyridinyl)acetonitrile has a molecular weight of 163.18 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-methoxy-2-pyridinyl)acetonitrile is sourced from PubChem (CID 14025399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).