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

C9H9BrN2O — CID 83383730

IUPAC(5-bromo-2-methylindazol-3-yl)methanol
SMILESCn1nc2ccc(Br)cc2c1CO
InChIInChI=1S/C9H9BrN2O/c1-12-9(5-13)7-4-6(10)2-3-8(7)11-12/h2-4,13H,5H2,1H3
InChIKeyDVVZEKCKZXEDBU-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.83
Rot. Bonds1

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

(5-bromo-2-methylindazol-3-yl)methanol (PubChem CID 83383730) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is (5-bromo-2-methylindazol-3-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methylindazol-3-yl)methanol
PubChem CID83383730
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name(5-bromo-2-methylindazol-3-yl)methanol
SMILESCn1nc2ccc(Br)cc2c1CO
InChIInChI=1S/C9H9BrN2O/c1-12-9(5-13)7-4-6(10)2-3-8(7)11-12/h2-4,13H,5H2,1H3
InChIKeyDVVZEKCKZXEDBU-UHFFFAOYSA-N
XLogP1.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.83
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?
The IUPAC name of (5-bromo-2-methylindazol-3-yl)methanol (CID 83383730) is (5-bromo-2-methylindazol-3-yl)methanol.
What is the SMILES notation for (5-bromo-2-methylindazol-3-yl)methanol?
The canonical SMILES for (5-bromo-2-methylindazol-3-yl)methanol is Cn1nc2ccc(Br)cc2c1CO.
What is the InChIKey of (5-bromo-2-methylindazol-3-yl)methanol?
The InChIKey is DVVZEKCKZXEDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-12-9(5-13)7-4-6(10)2-3-8(7)11-12/h2-4,13H,5H2,1H3.
What are the key properties of (5-bromo-2-methylindazol-3-yl)methanol?
(5-bromo-2-methylindazol-3-yl)methanol has a molecular weight of 241.09 g/mol, XLogP of 1.83, 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 is sourced from PubChem (CID 83383730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).