(5-bromo-4-methoxy-3-methyl-2-pyridinyl)methanol

C8H10BrNO2 — CID 58201198

IUPAC(5-bromo-4-methoxy-3-methyl-2-pyridinyl)methanol
SMILESCOc1c(Br)cnc(CO)c1C
InChIInChI=1S/C8H10BrNO2/c1-5-7(4-11)10-3-6(9)8(5)12-2/h3,11H,4H2,1-2H3
InChIKeyGUDUFFNMWWARFC-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.65
Rot. Bonds2

About (5-bromo-4-methoxy-3-methyl-2-pyridinyl)methanol

(5-bromo-4-methoxy-3-methyl-2-pyridinyl)methanol (PubChem CID 58201198) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is (5-bromo-4-methoxy-3-methyl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(5-bromo-4-methoxy-3-methyl-2-pyridinyl)methanol
PubChem CID58201198
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name(5-bromo-4-methoxy-3-methyl-2-pyridinyl)methanol
SMILESCOc1c(Br)cnc(CO)c1C
InChIInChI=1S/C8H10BrNO2/c1-5-7(4-11)10-3-6(9)8(5)12-2/h3,11H,4H2,1-2H3
InChIKeyGUDUFFNMWWARFC-UHFFFAOYSA-N
XLogP1.65
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromo-4-methoxy-3-methyl-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 (5-bromo-4-methoxy-3-methyl-2-pyridinyl)methanol?
The IUPAC name of (5-bromo-4-methoxy-3-methyl-2-pyridinyl)methanol (CID 58201198) is (5-bromo-4-methoxy-3-methyl-2-pyridinyl)methanol.
What is the SMILES notation for (5-bromo-4-methoxy-3-methyl-2-pyridinyl)methanol?
The canonical SMILES for (5-bromo-4-methoxy-3-methyl-2-pyridinyl)methanol is COc1c(Br)cnc(CO)c1C.
What is the InChIKey of (5-bromo-4-methoxy-3-methyl-2-pyridinyl)methanol?
The InChIKey is GUDUFFNMWWARFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-5-7(4-11)10-3-6(9)8(5)12-2/h3,11H,4H2,1-2H3.
What are the key properties of (5-bromo-4-methoxy-3-methyl-2-pyridinyl)methanol?
(5-bromo-4-methoxy-3-methyl-2-pyridinyl)methanol has a molecular weight of 232.08 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methoxy-3-methyl-2-pyridinyl)methanol is sourced from PubChem (CID 58201198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).