methyl 5-bromo-6-chloro-1H-indazole-7-carboxylate

C9H6BrClN2O2 — CID 164940209

IUPACmethyl 5-bromo-6-chloro-1H-indazole-7-carboxylate
SMILESCOC(=O)c1c(Cl)c(Br)cc2cn[nH]c12
InChIInChI=1S/C9H6BrClN2O2/c1-15-9(14)6-7(11)5(10)2-4-3-12-13-8(4)6/h2-3H,1H3,(H,12,13)
InChIKeyWZSVVICCCRFNTP-UHFFFAOYSA-N
MW289.52 g/mol
LogP2.77
Rot. Bonds1

About methyl 5-bromo-6-chloro-1H-indazole-7-carboxylate

methyl 5-bromo-6-chloro-1H-indazole-7-carboxylate (PubChem CID 164940209) has the molecular formula C9H6BrClN2O2 and a molecular weight of 289.52 g/mol. Its IUPAC name is methyl 5-bromo-6-chloro-1H-indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-6-chloro-1H-indazole-7-carboxylate
PubChem CID164940209
Molecular FormulaC9H6BrClN2O2
Molecular Weight289.52 g/mol
Exact Mass287.93
IUPAC Namemethyl 5-bromo-6-chloro-1H-indazole-7-carboxylate
SMILESCOC(=O)c1c(Cl)c(Br)cc2cn[nH]c12
InChIInChI=1S/C9H6BrClN2O2/c1-15-9(14)6-7(11)5(10)2-4-3-12-13-8(4)6/h2-3H,1H3,(H,12,13)
InChIKeyWZSVVICCCRFNTP-UHFFFAOYSA-N
XLogP2.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.52
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-6-chloro-1H-indazole-7-carboxylate?
The IUPAC name of methyl 5-bromo-6-chloro-1H-indazole-7-carboxylate (CID 164940209) is methyl 5-bromo-6-chloro-1H-indazole-7-carboxylate.
What is the SMILES notation for methyl 5-bromo-6-chloro-1H-indazole-7-carboxylate?
The canonical SMILES for methyl 5-bromo-6-chloro-1H-indazole-7-carboxylate is COC(=O)c1c(Cl)c(Br)cc2cn[nH]c12.
What is the InChIKey of methyl 5-bromo-6-chloro-1H-indazole-7-carboxylate?
The InChIKey is WZSVVICCCRFNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O2/c1-15-9(14)6-7(11)5(10)2-4-3-12-13-8(4)6/h2-3H,1H3,(H,12,13).
What are the key properties of methyl 5-bromo-6-chloro-1H-indazole-7-carboxylate?
methyl 5-bromo-6-chloro-1H-indazole-7-carboxylate has a molecular weight of 289.52 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-6-chloro-1H-indazole-7-carboxylate is sourced from PubChem (CID 164940209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).