1,2-dimethyl-2H-pyridine-3,4-diol

C7H11NO2 — CID 101407849

IUPAC1,2-dimethyl-2H-pyridine-3,4-diol
SMILESCC1C(O)=C(O)C=CN1C
InChIInChI=1S/C7H11NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-5,9-10H,1-2H3
InChIKeyQBFHRWLODALVSR-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.16
Rot. Bonds

About 1,2-dimethyl-2H-pyridine-3,4-diol

1,2-dimethyl-2H-pyridine-3,4-diol (PubChem CID 101407849) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1,2-dimethyl-2H-pyridine-3,4-diol.

Molecular Properties

Compound Name1,2-dimethyl-2H-pyridine-3,4-diol
PubChem CID101407849
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1,2-dimethyl-2H-pyridine-3,4-diol
SMILESCC1C(O)=C(O)C=CN1C
InChIInChI=1S/C7H11NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-5,9-10H,1-2H3
InChIKeyQBFHRWLODALVSR-UHFFFAOYSA-N
XLogP1.16
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2H-pyridine-3,4-diol?
The IUPAC name of 1,2-dimethyl-2H-pyridine-3,4-diol (CID 101407849) is 1,2-dimethyl-2H-pyridine-3,4-diol.
What is the SMILES notation for 1,2-dimethyl-2H-pyridine-3,4-diol?
The canonical SMILES for 1,2-dimethyl-2H-pyridine-3,4-diol is CC1C(O)=C(O)C=CN1C.
What is the InChIKey of 1,2-dimethyl-2H-pyridine-3,4-diol?
The InChIKey is QBFHRWLODALVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-5,9-10H,1-2H3.
What are the key properties of 1,2-dimethyl-2H-pyridine-3,4-diol?
1,2-dimethyl-2H-pyridine-3,4-diol has a molecular weight of 141.17 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2H-pyridine-3,4-diol is sourced from PubChem (CID 101407849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).