(2,6-dimethoxy-3-pyridinyl)methanediol

C8H11NO4 — CID 134064056

IUPAC(2,6-dimethoxy-3-pyridinyl)methanediol
SMILESCOc1ccc(C(O)O)c(OC)n1
InChIInChI=1S/C8H11NO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4,8,10-11H,1-2H3
InChIKeyYBWLFGKYQIGTTH-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.08
Rot. Bonds3

About (2,6-dimethoxy-3-pyridinyl)methanediol

(2,6-dimethoxy-3-pyridinyl)methanediol (PubChem CID 134064056) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is (2,6-dimethoxy-3-pyridinyl)methanediol.

Molecular Properties

Compound Name(2,6-dimethoxy-3-pyridinyl)methanediol
PubChem CID134064056
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name(2,6-dimethoxy-3-pyridinyl)methanediol
SMILESCOc1ccc(C(O)O)c(OC)n1
InChIInChI=1S/C8H11NO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4,8,10-11H,1-2H3
InChIKeyYBWLFGKYQIGTTH-UHFFFAOYSA-N
XLogP0.08
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2,6-dimethoxy-3-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171870701
1-(2,6-dimethoxy-3-pyridinyl)butane-1,2,4-triol
CID 171872771
4-chloro-1-(2,6-dimethoxy-3-pyridinyl)butane-1,2-diol
CID 171894271
2-(3-hydroxy-6-methoxy-2-pyridinyl)-6-methoxypyridin-3-ol
CID 175477358
2-(2,6-dimethoxy-3-pyridinyl)-2-(4-methyl-1,4-diazepan-1-yl)acetic acid
CID 86286720
2,3-dihydroxy-3-(6-methoxy-2-methyl-3-pyridinyl)propanoic acid
CID 170824081
3-bromo-1-(6-methoxy-2-methyl-3-pyridinyl)propane-1,2-diol
CID 171860100
1-(6-methoxy-2-methyl-3-pyridinyl)butane-1,2,4-triol
CID 171872418
3-(2,6-dimethoxy-3-pyridinyl)-6-methylpyridazine
CID 70870882
2,6-dimethoxypyridine-3-sulfonamide
CID 146109641
2,6-dimethoxy-3-(6-methyl-3-pyridinyl)pyridine
CID 67474608
1-[6-(2,2-difluoroethoxy)-2-methoxy-3-pyridinyl]ethanamine;hydrochloride
CID 87427103

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-3-pyridinyl)methanediol?
The IUPAC name of (2,6-dimethoxy-3-pyridinyl)methanediol (CID 134064056) is (2,6-dimethoxy-3-pyridinyl)methanediol.
What is the SMILES notation for (2,6-dimethoxy-3-pyridinyl)methanediol?
The canonical SMILES for (2,6-dimethoxy-3-pyridinyl)methanediol is COc1ccc(C(O)O)c(OC)n1.
What is the InChIKey of (2,6-dimethoxy-3-pyridinyl)methanediol?
The InChIKey is YBWLFGKYQIGTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-12-6-4-3-5(8(10)11)7(9-6)13-2/h3-4,8,10-11H,1-2H3.
What are the key properties of (2,6-dimethoxy-3-pyridinyl)methanediol?
(2,6-dimethoxy-3-pyridinyl)methanediol has a molecular weight of 185.18 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-3-pyridinyl)methanediol is sourced from PubChem (CID 134064056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).