(4-methoxy-3,5-dimethyl-2-pyridinyl)methanol

C9H13NO2 — CID 737823

IUPAC(4-methoxy-3,5-dimethyl-2-pyridinyl)methanol
SMILESCOc1c(C)cnc(CO)c1C
InChIInChI=1S/C9H13NO2/c1-6-4-10-8(5-11)7(2)9(6)12-3/h4,11H,5H2,1-3H3
InChIKeyPSEPRWKZZJWRCB-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.20
Rot. Bonds2

About (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol

(4-methoxy-3,5-dimethyl-2-pyridinyl)methanol (PubChem CID 737823) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-methoxy-3,5-dimethyl-2-pyridinyl)methanol
PubChem CID737823
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(4-methoxy-3,5-dimethyl-2-pyridinyl)methanol
SMILESCOc1c(C)cnc(CO)c1C
InChIInChI=1S/C9H13NO2/c1-6-4-10-8(5-11)7(2)9(6)12-3/h4,11H,5H2,1-3H3
InChIKeyPSEPRWKZZJWRCB-UHFFFAOYSA-N
XLogP1.20
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol?
The IUPAC name of (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol (CID 737823) is (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol.
What is the SMILES notation for (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol?
The canonical SMILES for (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol is COc1c(C)cnc(CO)c1C.
What is the InChIKey of (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol?
The InChIKey is PSEPRWKZZJWRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6-4-10-8(5-11)7(2)9(6)12-3/h4,11H,5H2,1-3H3.
What are the key properties of (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol?
(4-methoxy-3,5-dimethyl-2-pyridinyl)methanol has a molecular weight of 167.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,5-dimethyl-2-pyridinyl)methanol is sourced from PubChem (CID 737823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).