4-bromo-3-methyl-2H-indazole-6-carbaldehyde

C9H7BrN2O — CID 117109587

IUPAC4-bromo-3-methyl-2H-indazole-6-carbaldehyde
SMILESCc1[nH]nc2cc(C=O)cc(Br)c12
InChIInChI=1S/C9H7BrN2O/c1-5-9-7(10)2-6(4-13)3-8(9)12-11-5/h2-4H,1H3,(H,11,12)
InChIKeyWHOALJWFAFPKTC-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.45
Rot. Bonds1

About 4-bromo-3-methyl-2H-indazole-6-carbaldehyde

4-bromo-3-methyl-2H-indazole-6-carbaldehyde (PubChem CID 117109587) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 4-bromo-3-methyl-2H-indazole-6-carbaldehyde.

Molecular Properties

Compound Name4-bromo-3-methyl-2H-indazole-6-carbaldehyde
PubChem CID117109587
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name4-bromo-3-methyl-2H-indazole-6-carbaldehyde
SMILESCc1[nH]nc2cc(C=O)cc(Br)c12
InChIInChI=1S/C9H7BrN2O/c1-5-9-7(10)2-6(4-13)3-8(9)12-11-5/h2-4H,1H3,(H,11,12)
InChIKeyWHOALJWFAFPKTC-UHFFFAOYSA-N
XLogP2.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-methyl-2H-indazole-6-carbaldehyde
CID 117109580
4-bromo-6-iodo-2H-indazole-3-carbaldehyde
CID 24728491
6-bromo-3-methyl-2H-indazol-4-amine
CID 24729381
3,7-dimethyl-2H-indazole-4-carbaldehyde
CID 118992183
7-bromo-1,3-benzoxazole-5-carbaldehyde
CID 83892462
ethane;3,4,6-trimethyl-2H-pyrazolo[4,3-c]pyridine
CID 144869732
6-bromo-4-iodo-2H-indazole-3-carbaldehyde
CID 24728496
5-bromo-4-methoxy-3-methyl-2H-indazole
CID 84702333
6-chloro-4-fluoro-3-methyl-2H-indazole
CID 89425145
6-bromo-3,5-dimethyl-2H-indazole;ethane
CID 178017805
7-bromo-2,3-dimethylindazole-5-carbaldehyde
CID 117110361
6-chloro-4-fluoro-3,5-dimethyl-2H-indazole
CID 176567059

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-2H-indazole-6-carbaldehyde?
The IUPAC name of 4-bromo-3-methyl-2H-indazole-6-carbaldehyde (CID 117109587) is 4-bromo-3-methyl-2H-indazole-6-carbaldehyde.
What is the SMILES notation for 4-bromo-3-methyl-2H-indazole-6-carbaldehyde?
The canonical SMILES for 4-bromo-3-methyl-2H-indazole-6-carbaldehyde is Cc1[nH]nc2cc(C=O)cc(Br)c12.
What is the InChIKey of 4-bromo-3-methyl-2H-indazole-6-carbaldehyde?
The InChIKey is WHOALJWFAFPKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-5-9-7(10)2-6(4-13)3-8(9)12-11-5/h2-4H,1H3,(H,11,12).
What are the key properties of 4-bromo-3-methyl-2H-indazole-6-carbaldehyde?
4-bromo-3-methyl-2H-indazole-6-carbaldehyde has a molecular weight of 239.07 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-2H-indazole-6-carbaldehyde is sourced from PubChem (CID 117109587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).