methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate

C10H7BrN2O3 — CID 24728090

IUPACmethyl 6-bromo-3-formyl-2H-indazole-4-carboxylate
SMILESCOC(=O)c1cc(Br)cc2n[nH]c(C=O)c12
InChIInChI=1S/C10H7BrN2O3/c1-16-10(15)6-2-5(11)3-7-9(6)8(4-14)13-12-7/h2-4H,1H3,(H,12,13)
InChIKeyFVIVPMMXHLLRDF-UHFFFAOYSA-N
MW283.08 g/mol
LogP1.92
Rot. Bonds2

About methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate

methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate (PubChem CID 24728090) has the molecular formula C10H7BrN2O3 and a molecular weight of 283.08 g/mol. Its IUPAC name is methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-3-formyl-2H-indazole-4-carboxylate
PubChem CID24728090
Molecular FormulaC10H7BrN2O3
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Namemethyl 6-bromo-3-formyl-2H-indazole-4-carboxylate
SMILESCOC(=O)c1cc(Br)cc2n[nH]c(C=O)c12
InChIInChI=1S/C10H7BrN2O3/c1-16-10(15)6-2-5(11)3-7-9(6)8(4-14)13-12-7/h2-4H,1H3,(H,12,13)
InChIKeyFVIVPMMXHLLRDF-UHFFFAOYSA-N
XLogP1.92
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-chloro-3-formyl-2H-indazole-4-carboxylate
CID 24728365
6-bromo-4-iodo-2H-indazole-3-carbaldehyde
CID 24728496
methyl 6-bromo-3-formyl-1H-indole-4-carboxylate
CID 91933768
methyl 3-formyl-7-methyl-2H-indazole-4-carboxylate
CID 74890533
methyl 6-bromo-3-cyano-1H-indazole-4-carboxylate
CID 24728081
methyl 3,6-dibromo-1H-indole-4-carboxylate
CID 126970229
methyl 5-bromo-3-formyl-1H-indole-7-carboxylate
CID 131523033
methyl 5-bromo-2-cyano-3-formylbenzoate
CID 121227765
methyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate
CID 131513265
methyl 3-bromo-4-chloro-2H-indazole-6-carboxylate
CID 24728389
methyl 5-bromo-2-iodopyridine-3-carboxylate
CID 133062005
methyl 6-bromo-2-(1,2,2-trifluoroethyl)indazole-4-carboxylate
CID 175345200

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate?
The IUPAC name of methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate (CID 24728090) is methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate.
What is the SMILES notation for methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate?
The canonical SMILES for methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate is COC(=O)c1cc(Br)cc2n[nH]c(C=O)c12.
What is the InChIKey of methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate?
The InChIKey is FVIVPMMXHLLRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3/c1-16-10(15)6-2-5(11)3-7-9(6)8(4-14)13-12-7/h2-4H,1H3,(H,12,13).
What are the key properties of methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate?
methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate has a molecular weight of 283.08 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate is sourced from PubChem (CID 24728090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).