4-(3-methoxy-2-pyridinyl)but-3-enenitrile

C10H10N2O — CID 170799445

IUPAC4-(3-methoxy-2-pyridinyl)but-3-enenitrile
SMILESCOc1cccnc1C=CCC#N
InChIInChI=1S/C10H10N2O/c1-13-10-6-4-8-12-9(10)5-2-3-7-11/h2,4-6,8H,3H2,1H3
InChIKeyGWOQLXAGSNZDSF-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.02
Rot. Bonds3

About 4-(3-methoxy-2-pyridinyl)but-3-enenitrile

4-(3-methoxy-2-pyridinyl)but-3-enenitrile (PubChem CID 170799445) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-(3-methoxy-2-pyridinyl)but-3-enenitrile.

Molecular Properties

Compound Name4-(3-methoxy-2-pyridinyl)but-3-enenitrile
PubChem CID170799445
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name4-(3-methoxy-2-pyridinyl)but-3-enenitrile
SMILESCOc1cccnc1C=CCC#N
InChIInChI=1S/C10H10N2O/c1-13-10-6-4-8-12-9(10)5-2-3-7-11/h2,4-6,8H,3H2,1H3
InChIKeyGWOQLXAGSNZDSF-UHFFFAOYSA-N
XLogP2.02
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-2-pyridinyl)but-3-enenitrile?
The IUPAC name of 4-(3-methoxy-2-pyridinyl)but-3-enenitrile (CID 170799445) is 4-(3-methoxy-2-pyridinyl)but-3-enenitrile.
What is the SMILES notation for 4-(3-methoxy-2-pyridinyl)but-3-enenitrile?
The canonical SMILES for 4-(3-methoxy-2-pyridinyl)but-3-enenitrile is COc1cccnc1C=CCC#N.
What is the InChIKey of 4-(3-methoxy-2-pyridinyl)but-3-enenitrile?
The InChIKey is GWOQLXAGSNZDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-13-10-6-4-8-12-9(10)5-2-3-7-11/h2,4-6,8H,3H2,1H3.
What are the key properties of 4-(3-methoxy-2-pyridinyl)but-3-enenitrile?
4-(3-methoxy-2-pyridinyl)but-3-enenitrile has a molecular weight of 174.20 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-2-pyridinyl)but-3-enenitrile is sourced from PubChem (CID 170799445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).