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

C8H8N2O — CID 45079846

IUPAC2-(6-methoxy-3-pyridinyl)acetonitrile
SMILESCOc1ccc(CC#N)cn1
InChIInChI=1S/C8H8N2O/c1-11-8-3-2-7(4-5-9)6-10-8/h2-3,6H,4H2,1H3
InChIKeyRGHZXZCNIZIVGY-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.16
Rot. Bonds2

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

2-(6-methoxy-3-pyridinyl)acetonitrile (PubChem CID 45079846) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)acetonitrile
PubChem CID45079846
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-(6-methoxy-3-pyridinyl)acetonitrile
SMILESCOc1ccc(CC#N)cn1
InChIInChI=1S/C8H8N2O/c1-11-8-3-2-7(4-5-9)6-10-8/h2-3,6H,4H2,1H3
InChIKeyRGHZXZCNIZIVGY-UHFFFAOYSA-N
XLogP1.16
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)acetonitrile (CID 45079846) is 2-(6-methoxy-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)acetonitrile is COc1ccc(CC#N)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)acetonitrile?
The InChIKey is RGHZXZCNIZIVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-11-8-3-2-7(4-5-9)6-10-8/h2-3,6H,4H2,1H3.
What are the key properties of 2-(6-methoxy-3-pyridinyl)acetonitrile?
2-(6-methoxy-3-pyridinyl)acetonitrile has a molecular weight of 148.16 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)acetonitrile is sourced from PubChem (CID 45079846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).