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

C9H13NO2 — CID 70702453

IUPAC(6-methoxy-3,5-dimethyl-2-pyridinyl)methanol
SMILESCOc1nc(CO)c(C)cc1C
InChIInChI=1S/C9H13NO2/c1-6-4-7(2)9(12-3)10-8(6)5-11/h4,11H,5H2,1-3H3
InChIKeyOEBCBJFNSYRPHY-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.20
Rot. Bonds2

About (6-methoxy-3,5-dimethyl-2-pyridinyl)methanol

(6-methoxy-3,5-dimethyl-2-pyridinyl)methanol (PubChem CID 70702453) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (6-methoxy-3,5-dimethyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(6-methoxy-3,5-dimethyl-2-pyridinyl)methanol
PubChem CID70702453
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(6-methoxy-3,5-dimethyl-2-pyridinyl)methanol
SMILESCOc1nc(CO)c(C)cc1C
InChIInChI=1S/C9H13NO2/c1-6-4-7(2)9(12-3)10-8(6)5-11/h4,11H,5H2,1-3H3
InChIKeyOEBCBJFNSYRPHY-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

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3,5-dimethyl-2-pyridinyl)methanol?
The IUPAC name of (6-methoxy-3,5-dimethyl-2-pyridinyl)methanol (CID 70702453) is (6-methoxy-3,5-dimethyl-2-pyridinyl)methanol.
What is the SMILES notation for (6-methoxy-3,5-dimethyl-2-pyridinyl)methanol?
The canonical SMILES for (6-methoxy-3,5-dimethyl-2-pyridinyl)methanol is COc1nc(CO)c(C)cc1C.
What is the InChIKey of (6-methoxy-3,5-dimethyl-2-pyridinyl)methanol?
The InChIKey is OEBCBJFNSYRPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6-4-7(2)9(12-3)10-8(6)5-11/h4,11H,5H2,1-3H3.
What are the key properties of (6-methoxy-3,5-dimethyl-2-pyridinyl)methanol?
(6-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 (6-methoxy-3,5-dimethyl-2-pyridinyl)methanol is sourced from PubChem (CID 70702453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).