4-(dimethoxymethyl)pyridin-3-ol

C8H11NO3 — CID 86690788

IUPAC4-(dimethoxymethyl)pyridin-3-ol
SMILESCOC(OC)c1ccncc1O
InChIInChI=1S/C8H11NO3/c1-11-8(12-2)6-3-4-9-5-7(6)10/h3-5,8,10H,1-2H3
InChIKeyKLTMKKNNTSMNHQ-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.08
Rot. Bonds3

About 4-(dimethoxymethyl)pyridin-3-ol

4-(dimethoxymethyl)pyridin-3-ol (PubChem CID 86690788) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-(dimethoxymethyl)pyridin-3-ol.

Molecular Properties

Compound Name4-(dimethoxymethyl)pyridin-3-ol
PubChem CID86690788
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name4-(dimethoxymethyl)pyridin-3-ol
SMILESCOC(OC)c1ccncc1O
InChIInChI=1S/C8H11NO3/c1-11-8(12-2)6-3-4-9-5-7(6)10/h3-5,8,10H,1-2H3
InChIKeyKLTMKKNNTSMNHQ-UHFFFAOYSA-N
XLogP1.08
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)pyridin-3-ol?
The IUPAC name of 4-(dimethoxymethyl)pyridin-3-ol (CID 86690788) is 4-(dimethoxymethyl)pyridin-3-ol.
What is the SMILES notation for 4-(dimethoxymethyl)pyridin-3-ol?
The canonical SMILES for 4-(dimethoxymethyl)pyridin-3-ol is COC(OC)c1ccncc1O.
What is the InChIKey of 4-(dimethoxymethyl)pyridin-3-ol?
The InChIKey is KLTMKKNNTSMNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-11-8(12-2)6-3-4-9-5-7(6)10/h3-5,8,10H,1-2H3.
What are the key properties of 4-(dimethoxymethyl)pyridin-3-ol?
4-(dimethoxymethyl)pyridin-3-ol has a molecular weight of 169.18 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)pyridin-3-ol is sourced from PubChem (CID 86690788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).