(5-ethenyl-2-methoxy-4-pyridinyl)methanamine

C9H12N2O — CID 74891030

IUPAC(5-ethenyl-2-methoxy-4-pyridinyl)methanamine
SMILESC=Cc1cnc(OC)cc1CN
InChIInChI=1S/C9H12N2O/c1-3-7-6-11-9(12-2)4-8(7)5-10/h3-4,6H,1,5,10H2,2H3
InChIKeyJSODCGXUPDFGNW-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.19
Rot. Bonds3

About (5-ethenyl-2-methoxy-4-pyridinyl)methanamine

(5-ethenyl-2-methoxy-4-pyridinyl)methanamine (PubChem CID 74891030) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (5-ethenyl-2-methoxy-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(5-ethenyl-2-methoxy-4-pyridinyl)methanamine
PubChem CID74891030
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(5-ethenyl-2-methoxy-4-pyridinyl)methanamine
SMILESC=Cc1cnc(OC)cc1CN
InChIInChI=1S/C9H12N2O/c1-3-7-6-11-9(12-2)4-8(7)5-10/h3-4,6H,1,5,10H2,2H3
InChIKeyJSODCGXUPDFGNW-UHFFFAOYSA-N
XLogP1.19
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethenyl-2-methoxy-4-pyridinyl)methanamine?
The IUPAC name of (5-ethenyl-2-methoxy-4-pyridinyl)methanamine (CID 74891030) is (5-ethenyl-2-methoxy-4-pyridinyl)methanamine.
What is the SMILES notation for (5-ethenyl-2-methoxy-4-pyridinyl)methanamine?
The canonical SMILES for (5-ethenyl-2-methoxy-4-pyridinyl)methanamine is C=Cc1cnc(OC)cc1CN.
What is the InChIKey of (5-ethenyl-2-methoxy-4-pyridinyl)methanamine?
The InChIKey is JSODCGXUPDFGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-3-7-6-11-9(12-2)4-8(7)5-10/h3-4,6H,1,5,10H2,2H3.
What are the key properties of (5-ethenyl-2-methoxy-4-pyridinyl)methanamine?
(5-ethenyl-2-methoxy-4-pyridinyl)methanamine has a molecular weight of 164.21 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethenyl-2-methoxy-4-pyridinyl)methanamine is sourced from PubChem (CID 74891030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).