(5-bromo-2-methylindazol-3-yl)methanol;ethane

C11H15BrN2O — CID 156725310

IUPAC(5-bromo-2-methylindazol-3-yl)methanol;ethane
SMILESCC.Cn1nc2ccc(Br)cc2c1CO
InChIInChI=1S/C9H9BrN2O.C2H6/c1-12-9(5-13)7-4-6(10)2-3-8(7)11-12;1-2/h2-4,13H,5H2,1H3;1-2H3
InChIKeyXSDDHFCRMLLTBW-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.85
Rot. Bonds1

About (5-bromo-2-methylindazol-3-yl)methanol;ethane

(5-bromo-2-methylindazol-3-yl)methanol;ethane (PubChem CID 156725310) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is (5-bromo-2-methylindazol-3-yl)methanol;ethane.

Molecular Properties

Compound Name(5-bromo-2-methylindazol-3-yl)methanol;ethane
PubChem CID156725310
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name(5-bromo-2-methylindazol-3-yl)methanol;ethane
SMILESCC.Cn1nc2ccc(Br)cc2c1CO
InChIInChI=1S/C9H9BrN2O.C2H6/c1-12-9(5-13)7-4-6(10)2-3-8(7)11-12;1-2/h2-4,13H,5H2,1H3;1-2H3
InChIKeyXSDDHFCRMLLTBW-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylindazol-3-yl)methanol;ethane?
The IUPAC name of (5-bromo-2-methylindazol-3-yl)methanol;ethane (CID 156725310) is (5-bromo-2-methylindazol-3-yl)methanol;ethane.
What is the SMILES notation for (5-bromo-2-methylindazol-3-yl)methanol;ethane?
The canonical SMILES for (5-bromo-2-methylindazol-3-yl)methanol;ethane is CC.Cn1nc2ccc(Br)cc2c1CO.
What is the InChIKey of (5-bromo-2-methylindazol-3-yl)methanol;ethane?
The InChIKey is XSDDHFCRMLLTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O.C2H6/c1-12-9(5-13)7-4-6(10)2-3-8(7)11-12;1-2/h2-4,13H,5H2,1H3;1-2H3.
What are the key properties of (5-bromo-2-methylindazol-3-yl)methanol;ethane?
(5-bromo-2-methylindazol-3-yl)methanol;ethane has a molecular weight of 271.16 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylindazol-3-yl)methanol;ethane is sourced from PubChem (CID 156725310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).