[5-ethenyl-6-(methylamino)-3-pyridinyl]methanol

C9H12N2O — CID 143020061

IUPAC[5-ethenyl-6-(methylamino)-3-pyridinyl]methanol
SMILESC=Cc1cc(CO)cnc1NC
InChIInChI=1S/C9H12N2O/c1-3-8-4-7(6-12)5-11-9(8)10-2/h3-5,12H,1,6H2,2H3,(H,10,11)
InChIKeyGCKAQPKGDLSNCJ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.26
Rot. Bonds3

About [5-ethenyl-6-(methylamino)-3-pyridinyl]methanol

[5-ethenyl-6-(methylamino)-3-pyridinyl]methanol (PubChem CID 143020061) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is [5-ethenyl-6-(methylamino)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-ethenyl-6-(methylamino)-3-pyridinyl]methanol
PubChem CID143020061
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name[5-ethenyl-6-(methylamino)-3-pyridinyl]methanol
SMILESC=Cc1cc(CO)cnc1NC
InChIInChI=1S/C9H12N2O/c1-3-8-4-7(6-12)5-11-9(8)10-2/h3-5,12H,1,6H2,2H3,(H,10,11)
InChIKeyGCKAQPKGDLSNCJ-UHFFFAOYSA-N
XLogP1.26
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-ethenyl-6-(methylamino)-3-pyridinyl]methanol?
The IUPAC name of [5-ethenyl-6-(methylamino)-3-pyridinyl]methanol (CID 143020061) is [5-ethenyl-6-(methylamino)-3-pyridinyl]methanol.
What is the SMILES notation for [5-ethenyl-6-(methylamino)-3-pyridinyl]methanol?
The canonical SMILES for [5-ethenyl-6-(methylamino)-3-pyridinyl]methanol is C=Cc1cc(CO)cnc1NC.
What is the InChIKey of [5-ethenyl-6-(methylamino)-3-pyridinyl]methanol?
The InChIKey is GCKAQPKGDLSNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-3-8-4-7(6-12)5-11-9(8)10-2/h3-5,12H,1,6H2,2H3,(H,10,11).
What are the key properties of [5-ethenyl-6-(methylamino)-3-pyridinyl]methanol?
[5-ethenyl-6-(methylamino)-3-pyridinyl]methanol has a molecular weight of 164.21 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethenyl-6-(methylamino)-3-pyridinyl]methanol is sourced from PubChem (CID 143020061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).