2-(5-bromo-3-methylindazol-1-yl)acetaldehyde

C10H9BrN2O — CID 83843834

IUPAC2-(5-bromo-3-methylindazol-1-yl)acetaldehyde
SMILESCc1nn(CC=O)c2ccc(Br)cc12
InChIInChI=1S/C10H9BrN2O/c1-7-9-6-8(11)2-3-10(9)13(12-7)4-5-14/h2-3,5-6H,4H2,1H3
InChIKeyPBFXWUFGRRKXHZ-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.31
Rot. Bonds2

About 2-(5-bromo-3-methylindazol-1-yl)acetaldehyde

2-(5-bromo-3-methylindazol-1-yl)acetaldehyde (PubChem CID 83843834) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 2-(5-bromo-3-methylindazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-bromo-3-methylindazol-1-yl)acetaldehyde
PubChem CID83843834
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name2-(5-bromo-3-methylindazol-1-yl)acetaldehyde
SMILESCc1nn(CC=O)c2ccc(Br)cc12
InChIInChI=1S/C10H9BrN2O/c1-7-9-6-8(11)2-3-10(9)13(12-7)4-5-14/h2-3,5-6H,4H2,1H3
InChIKeyPBFXWUFGRRKXHZ-UHFFFAOYSA-N
XLogP2.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.31
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-(5-cyclopropyl-3-methylindazol-1-yl)acetaldehyde
CID 129229248
2-(3,6-dimethylindazol-1-yl)acetaldehyde
CID 83829090
5-bromo-1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-methylindazole
CID 90307677
5-bromo-3-methyl-1-(oxetan-3-yl)indazole
CID 156503196
2-(3-chloroindazol-1-yl)acetaldehyde
CID 89325670
7-bromo-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
CID 115052525
6-bromo-1,3-dimethylindazole;ethane
CID 145062136
methyl 5-bromo-1-ethylindazole-3-carboxylate
CID 170559421
2-(5-fluoro-3-methylindazol-1-yl)acetic acid
CID 84675846
1-benzyl-5-bromo-3-[(3-methylphenyl)methyl]indazole
CID 118960046
ethyl 2-[3-[amino(hydroxy)methyl]-5-bromoindazol-1-yl]acetate
CID 130322770
3-(5-chloro-3-methylindazol-1-yl)propanoic acid
CID 84700878

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-methylindazol-1-yl)acetaldehyde?
The IUPAC name of 2-(5-bromo-3-methylindazol-1-yl)acetaldehyde (CID 83843834) is 2-(5-bromo-3-methylindazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(5-bromo-3-methylindazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(5-bromo-3-methylindazol-1-yl)acetaldehyde is Cc1nn(CC=O)c2ccc(Br)cc12.
What is the InChIKey of 2-(5-bromo-3-methylindazol-1-yl)acetaldehyde?
The InChIKey is PBFXWUFGRRKXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c1-7-9-6-8(11)2-3-10(9)13(12-7)4-5-14/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-(5-bromo-3-methylindazol-1-yl)acetaldehyde?
2-(5-bromo-3-methylindazol-1-yl)acetaldehyde has a molecular weight of 253.10 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-methylindazol-1-yl)acetaldehyde is sourced from PubChem (CID 83843834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).