(5-bromo-7-methoxy-1H-indol-3-yl)methanol

C10H10BrNO2 — CID 130049828

IUPAC(5-bromo-7-methoxy-1H-indol-3-yl)methanol
SMILESCOc1cc(Br)cc2c(CO)c[nH]c12
InChIInChI=1S/C10H10BrNO2/c1-14-9-3-7(11)2-8-6(5-13)4-12-10(8)9/h2-4,12-13H,5H2,1H3
InChIKeyRPXYGXUEBRJLCL-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.43
Rot. Bonds2

About (5-bromo-7-methoxy-1H-indol-3-yl)methanol

(5-bromo-7-methoxy-1H-indol-3-yl)methanol (PubChem CID 130049828) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (5-bromo-7-methoxy-1H-indol-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-7-methoxy-1H-indol-3-yl)methanol
PubChem CID130049828
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(5-bromo-7-methoxy-1H-indol-3-yl)methanol
SMILESCOc1cc(Br)cc2c(CO)c[nH]c12
InChIInChI=1S/C10H10BrNO2/c1-14-9-3-7(11)2-8-6(5-13)4-12-10(8)9/h2-4,12-13H,5H2,1H3
InChIKeyRPXYGXUEBRJLCL-UHFFFAOYSA-N
XLogP2.43
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-7-methoxy-1H-indol-3-yl)methanol?
The IUPAC name of (5-bromo-7-methoxy-1H-indol-3-yl)methanol (CID 130049828) is (5-bromo-7-methoxy-1H-indol-3-yl)methanol.
What is the SMILES notation for (5-bromo-7-methoxy-1H-indol-3-yl)methanol?
The canonical SMILES for (5-bromo-7-methoxy-1H-indol-3-yl)methanol is COc1cc(Br)cc2c(CO)c[nH]c12.
What is the InChIKey of (5-bromo-7-methoxy-1H-indol-3-yl)methanol?
The InChIKey is RPXYGXUEBRJLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-14-9-3-7(11)2-8-6(5-13)4-12-10(8)9/h2-4,12-13H,5H2,1H3.
What are the key properties of (5-bromo-7-methoxy-1H-indol-3-yl)methanol?
(5-bromo-7-methoxy-1H-indol-3-yl)methanol has a molecular weight of 256.10 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-7-methoxy-1H-indol-3-yl)methanol is sourced from PubChem (CID 130049828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).