3-methyl-1,2-dihydropyridin-6-ol

C6H9NO — CID 130316785

IUPAC3-methyl-1,2-dihydropyridin-6-ol
SMILESCC1=CC=C(O)NC1
InChIInChI=1S/C6H9NO/c1-5-2-3-6(8)7-4-5/h2-3,7-8H,4H2,1H3
InChIKeyOBNNQUMJWJTCEN-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.94
Rot. Bonds

About 3-methyl-1,2-dihydropyridin-6-ol

3-methyl-1,2-dihydropyridin-6-ol (PubChem CID 130316785) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 3-methyl-1,2-dihydropyridin-6-ol.

Molecular Properties

Compound Name3-methyl-1,2-dihydropyridin-6-ol
PubChem CID130316785
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name3-methyl-1,2-dihydropyridin-6-ol
SMILESCC1=CC=C(O)NC1
InChIInChI=1S/C6H9NO/c1-5-2-3-6(8)7-4-5/h2-3,7-8H,4H2,1H3
InChIKeyOBNNQUMJWJTCEN-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-dihydropyridin-6-ol?
The IUPAC name of 3-methyl-1,2-dihydropyridin-6-ol (CID 130316785) is 3-methyl-1,2-dihydropyridin-6-ol.
What is the SMILES notation for 3-methyl-1,2-dihydropyridin-6-ol?
The canonical SMILES for 3-methyl-1,2-dihydropyridin-6-ol is CC1=CC=C(O)NC1.
What is the InChIKey of 3-methyl-1,2-dihydropyridin-6-ol?
The InChIKey is OBNNQUMJWJTCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-2-3-6(8)7-4-5/h2-3,7-8H,4H2,1H3.
What are the key properties of 3-methyl-1,2-dihydropyridin-6-ol?
3-methyl-1,2-dihydropyridin-6-ol has a molecular weight of 111.14 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-dihydropyridin-6-ol is sourced from PubChem (CID 130316785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).