7-bromo-2,3-dimethylindazole-5-carbaldehyde

C10H9BrN2O — CID 117110361

IUPAC7-bromo-2,3-dimethylindazole-5-carbaldehyde
SMILESCc1c2cc(C=O)cc(Br)c2nn1C
InChIInChI=1S/C10H9BrN2O/c1-6-8-3-7(5-14)4-9(11)10(8)12-13(6)2/h3-5H,1-2H3
InChIKeyMMMGOBHBWGSZQB-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.46
Rot. Bonds1

About 7-bromo-2,3-dimethylindazole-5-carbaldehyde

7-bromo-2,3-dimethylindazole-5-carbaldehyde (PubChem CID 117110361) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 7-bromo-2,3-dimethylindazole-5-carbaldehyde.

Molecular Properties

Compound Name7-bromo-2,3-dimethylindazole-5-carbaldehyde
PubChem CID117110361
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name7-bromo-2,3-dimethylindazole-5-carbaldehyde
SMILESCc1c2cc(C=O)cc(Br)c2nn1C
InChIInChI=1S/C10H9BrN2O/c1-6-8-3-7(5-14)4-9(11)10(8)12-13(6)2/h3-5H,1-2H3
InChIKeyMMMGOBHBWGSZQB-UHFFFAOYSA-N
XLogP2.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,7-trimethylindazole-5-carbaldehyde
CID 117110362
2,3-dimethylindazole-7-carbaldehyde
CID 84717517
6-bromo-5-fluoro-2,3-dimethylindazole
CID 155895487
3,5-dibromo-4-[(3-methylimidazol-4-yl)methoxy]benzaldehyde
CID 107738138
3-chloro-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzaldehyde
CID 81151684
4-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 54910083
7-bromo-2,3-dimethylindazole-4-carboxamide
CID 173096594
3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde
CID 107738352
3-amino-7-bromo-1,2-benzoxazole-5-carbaldehyde
CID 139560650
4-bromo-3-methyl-2H-indazole-6-carbaldehyde
CID 117109587
3-bromo-2-methylindazole-7-carbaldehyde
CID 84727881
8-bromo-6-methylquinoline-3-carbaldehyde
CID 130067119

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,3-dimethylindazole-5-carbaldehyde?
The IUPAC name of 7-bromo-2,3-dimethylindazole-5-carbaldehyde (CID 117110361) is 7-bromo-2,3-dimethylindazole-5-carbaldehyde.
What is the SMILES notation for 7-bromo-2,3-dimethylindazole-5-carbaldehyde?
The canonical SMILES for 7-bromo-2,3-dimethylindazole-5-carbaldehyde is Cc1c2cc(C=O)cc(Br)c2nn1C.
What is the InChIKey of 7-bromo-2,3-dimethylindazole-5-carbaldehyde?
The InChIKey is MMMGOBHBWGSZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-6-8-3-7(5-14)4-9(11)10(8)12-13(6)2/h3-5H,1-2H3.
What are the key properties of 7-bromo-2,3-dimethylindazole-5-carbaldehyde?
7-bromo-2,3-dimethylindazole-5-carbaldehyde has a molecular weight of 253.10 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,3-dimethylindazole-5-carbaldehyde is sourced from PubChem (CID 117110361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).