2,3-dimethyl-4,5-dihydro-2H-pyridine-3,4,5-triol

C7H13NO3 — CID 67340829

IUPAC2,3-dimethyl-4,5-dihydro-2H-pyridine-3,4,5-triol
SMILESCC1N=CC(O)C(O)C1(C)O
InChIInChI=1S/C7H13NO3/c1-4-7(2,11)6(10)5(9)3-8-4/h3-6,9-11H,1-2H3
InChIKeyKAGRQVDQAXIXBX-UHFFFAOYSA-N
MW159.18 g/mol
LogP-1.07
Rot. Bonds

About 2,3-dimethyl-4,5-dihydro-2H-pyridine-3,4,5-triol

2,3-dimethyl-4,5-dihydro-2H-pyridine-3,4,5-triol (PubChem CID 67340829) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2,3-dimethyl-4,5-dihydro-2H-pyridine-3,4,5-triol.

Molecular Properties

Compound Name2,3-dimethyl-4,5-dihydro-2H-pyridine-3,4,5-triol
PubChem CID67340829
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2,3-dimethyl-4,5-dihydro-2H-pyridine-3,4,5-triol
SMILESCC1N=CC(O)C(O)C1(C)O
InChIInChI=1S/C7H13NO3/c1-4-7(2,11)6(10)5(9)3-8-4/h3-6,9-11H,1-2H3
InChIKeyKAGRQVDQAXIXBX-UHFFFAOYSA-N
XLogP-1.07
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4,5-dihydro-2H-pyridine-3,4,5-triol?
The IUPAC name of 2,3-dimethyl-4,5-dihydro-2H-pyridine-3,4,5-triol (CID 67340829) is 2,3-dimethyl-4,5-dihydro-2H-pyridine-3,4,5-triol.
What is the SMILES notation for 2,3-dimethyl-4,5-dihydro-2H-pyridine-3,4,5-triol?
The canonical SMILES for 2,3-dimethyl-4,5-dihydro-2H-pyridine-3,4,5-triol is CC1N=CC(O)C(O)C1(C)O.
What is the InChIKey of 2,3-dimethyl-4,5-dihydro-2H-pyridine-3,4,5-triol?
The InChIKey is KAGRQVDQAXIXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-7(2,11)6(10)5(9)3-8-4/h3-6,9-11H,1-2H3.
What are the key properties of 2,3-dimethyl-4,5-dihydro-2H-pyridine-3,4,5-triol?
2,3-dimethyl-4,5-dihydro-2H-pyridine-3,4,5-triol has a molecular weight of 159.18 g/mol, XLogP of -1.07, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4,5-dihydro-2H-pyridine-3,4,5-triol is sourced from PubChem (CID 67340829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).