2-methyl-1,2-dihydropyridin-3-ol

C6H9NO — CID 86340221

IUPAC2-methyl-1,2-dihydropyridin-3-ol
SMILESCC1NC=CC=C1O
InChIInChI=1S/C6H9NO/c1-5-6(8)3-2-4-7-5/h2-5,7-8H,1H3
InChIKeyNMRTVWUMTNTALN-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.93
Rot. Bonds

About 2-methyl-1,2-dihydropyridin-3-ol

2-methyl-1,2-dihydropyridin-3-ol (PubChem CID 86340221) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-methyl-1,2-dihydropyridin-3-ol.

Molecular Properties

Compound Name2-methyl-1,2-dihydropyridin-3-ol
PubChem CID86340221
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-methyl-1,2-dihydropyridin-3-ol
SMILESCC1NC=CC=C1O
InChIInChI=1S/C6H9NO/c1-5-6(8)3-2-4-7-5/h2-5,7-8H,1H3
InChIKeyNMRTVWUMTNTALN-UHFFFAOYSA-N
XLogP0.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,2-dihydropyridin-3-ol?
The IUPAC name of 2-methyl-1,2-dihydropyridin-3-ol (CID 86340221) is 2-methyl-1,2-dihydropyridin-3-ol.
What is the SMILES notation for 2-methyl-1,2-dihydropyridin-3-ol?
The canonical SMILES for 2-methyl-1,2-dihydropyridin-3-ol is CC1NC=CC=C1O.
What is the InChIKey of 2-methyl-1,2-dihydropyridin-3-ol?
The InChIKey is NMRTVWUMTNTALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-6(8)3-2-4-7-5/h2-5,7-8H,1H3.
What are the key properties of 2-methyl-1,2-dihydropyridin-3-ol?
2-methyl-1,2-dihydropyridin-3-ol has a molecular weight of 111.14 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,2-dihydropyridin-3-ol is sourced from PubChem (CID 86340221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).