7-bromo-2-methylindazole-3-carbaldehyde

C9H7BrN2O — CID 46839916

IUPAC7-bromo-2-methylindazole-3-carbaldehyde
SMILESCn1nc2c(Br)cccc2c1C=O
InChIInChI=1S/C9H7BrN2O/c1-12-8(5-13)6-3-2-4-7(10)9(6)11-12/h2-5H,1H3
InChIKeyNSLRTSWDWSKOIE-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.15
Rot. Bonds1

About 7-bromo-2-methylindazole-3-carbaldehyde

7-bromo-2-methylindazole-3-carbaldehyde (PubChem CID 46839916) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 7-bromo-2-methylindazole-3-carbaldehyde.

Molecular Properties

Compound Name7-bromo-2-methylindazole-3-carbaldehyde
PubChem CID46839916
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name7-bromo-2-methylindazole-3-carbaldehyde
SMILESCn1nc2c(Br)cccc2c1C=O
InChIInChI=1S/C9H7BrN2O/c1-12-8(5-13)6-3-2-4-7(10)9(6)11-12/h2-5H,1H3
InChIKeyNSLRTSWDWSKOIE-UHFFFAOYSA-N
XLogP2.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-methylindazole-3-carbaldehyde?
The IUPAC name of 7-bromo-2-methylindazole-3-carbaldehyde (CID 46839916) is 7-bromo-2-methylindazole-3-carbaldehyde.
What is the SMILES notation for 7-bromo-2-methylindazole-3-carbaldehyde?
The canonical SMILES for 7-bromo-2-methylindazole-3-carbaldehyde is Cn1nc2c(Br)cccc2c1C=O.
What is the InChIKey of 7-bromo-2-methylindazole-3-carbaldehyde?
The InChIKey is NSLRTSWDWSKOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-12-8(5-13)6-3-2-4-7(10)9(6)11-12/h2-5H,1H3.
What are the key properties of 7-bromo-2-methylindazole-3-carbaldehyde?
7-bromo-2-methylindazole-3-carbaldehyde has a molecular weight of 239.07 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-methylindazole-3-carbaldehyde is sourced from PubChem (CID 46839916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).