methyl 6-bromo-3-cyano-1H-indazole-4-carboxylate

C10H6BrN3O2 — CID 24728081

IUPACmethyl 6-bromo-3-cyano-1H-indazole-4-carboxylate
SMILESCOC(=O)c1cc(Br)cc2[nH]nc(C#N)c12
InChIInChI=1S/C10H6BrN3O2/c1-16-10(15)6-2-5(11)3-7-9(6)8(4-12)14-13-7/h2-3H,1H3,(H,13,14)
InChIKeyLDHQAQFDWZUAOH-UHFFFAOYSA-N
MW280.08 g/mol
LogP1.98
Rot. Bonds1

About methyl 6-bromo-3-cyano-1H-indazole-4-carboxylate

methyl 6-bromo-3-cyano-1H-indazole-4-carboxylate (PubChem CID 24728081) has the molecular formula C10H6BrN3O2 and a molecular weight of 280.08 g/mol. Its IUPAC name is methyl 6-bromo-3-cyano-1H-indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-3-cyano-1H-indazole-4-carboxylate
PubChem CID24728081
Molecular FormulaC10H6BrN3O2
Molecular Weight280.08 g/mol
Exact Mass278.96
IUPAC Namemethyl 6-bromo-3-cyano-1H-indazole-4-carboxylate
SMILESCOC(=O)c1cc(Br)cc2[nH]nc(C#N)c12
InChIInChI=1S/C10H6BrN3O2/c1-16-10(15)6-2-5(11)3-7-9(6)8(4-12)14-13-7/h2-3H,1H3,(H,13,14)
InChIKeyLDHQAQFDWZUAOH-UHFFFAOYSA-N
XLogP1.98
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.08
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-bromo-3-cyano-1H-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

6-bromo-4-iodo-1H-indazole-3-carbonitrile
CID 24728127
methyl 3,6-dibromo-1H-indole-4-carboxylate
CID 126970229
methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate
CID 24728090
methyl 5-bromo-2-chloro-3-cyanobenzoate
CID 130748892
methyl 6-bromo-3-formyl-1H-indole-4-carboxylate
CID 91933768
methyl 5-bromo-2-cyano-3-formylbenzoate
CID 121227765
methyl 3-bromo-2-cyanopyridine-4-carboxylate
CID 131187881
ethane;methyl 6-bromo-2-methyl-1H-indole-4-carboxylate
CID 145305093
methyl 5-bromo-3-cyano-2-(difluoromethoxy)benzoate
CID 171010903
methyl 2-bromo-6-cyano-5-(difluoromethyl)pyridine-3-carboxylate
CID 130109076
methyl 5-bromo-2-hydroxy-3-iodobenzoate
CID 3613951
methyl 4-bromo-5-cyano-2-hydroxybenzoate
CID 121227807

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-3-cyano-1H-indazole-4-carboxylate?
The IUPAC name of methyl 6-bromo-3-cyano-1H-indazole-4-carboxylate (CID 24728081) is methyl 6-bromo-3-cyano-1H-indazole-4-carboxylate.
What is the SMILES notation for methyl 6-bromo-3-cyano-1H-indazole-4-carboxylate?
The canonical SMILES for methyl 6-bromo-3-cyano-1H-indazole-4-carboxylate is COC(=O)c1cc(Br)cc2[nH]nc(C#N)c12.
What is the InChIKey of methyl 6-bromo-3-cyano-1H-indazole-4-carboxylate?
The InChIKey is LDHQAQFDWZUAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3O2/c1-16-10(15)6-2-5(11)3-7-9(6)8(4-12)14-13-7/h2-3H,1H3,(H,13,14).
What are the key properties of methyl 6-bromo-3-cyano-1H-indazole-4-carboxylate?
methyl 6-bromo-3-cyano-1H-indazole-4-carboxylate has a molecular weight of 280.08 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-3-cyano-1H-indazole-4-carboxylate is sourced from PubChem (CID 24728081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).