2-methyl-1H-pyridine-2,6-diol

C6H9NO2 — CID 67174350

IUPAC2-methyl-1H-pyridine-2,6-diol
SMILESCC1(O)C=CC=C(O)N1
InChIInChI=1S/C6H9NO2/c1-6(9)4-2-3-5(8)7-6/h2-4,7-9H,1H3
InChIKeyTVFXPEMOJVURIQ-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.25
Rot. Bonds

About 2-methyl-1H-pyridine-2,6-diol

2-methyl-1H-pyridine-2,6-diol (PubChem CID 67174350) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2-methyl-1H-pyridine-2,6-diol.

Molecular Properties

Compound Name2-methyl-1H-pyridine-2,6-diol
PubChem CID67174350
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2-methyl-1H-pyridine-2,6-diol
SMILESCC1(O)C=CC=C(O)N1
InChIInChI=1S/C6H9NO2/c1-6(9)4-2-3-5(8)7-6/h2-4,7-9H,1H3
InChIKeyTVFXPEMOJVURIQ-UHFFFAOYSA-N
XLogP0.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-pyridine-2,6-diol?
The IUPAC name of 2-methyl-1H-pyridine-2,6-diol (CID 67174350) is 2-methyl-1H-pyridine-2,6-diol.
What is the SMILES notation for 2-methyl-1H-pyridine-2,6-diol?
The canonical SMILES for 2-methyl-1H-pyridine-2,6-diol is CC1(O)C=CC=C(O)N1.
What is the InChIKey of 2-methyl-1H-pyridine-2,6-diol?
The InChIKey is TVFXPEMOJVURIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-6(9)4-2-3-5(8)7-6/h2-4,7-9H,1H3.
What are the key properties of 2-methyl-1H-pyridine-2,6-diol?
2-methyl-1H-pyridine-2,6-diol has a molecular weight of 127.14 g/mol, XLogP of 0.25, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-pyridine-2,6-diol is sourced from PubChem (CID 67174350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).