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

C9H6BrClN2O2 — CID 24728389

IUPACmethyl 3-bromo-4-chloro-2H-indazole-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2c(Br)[nH]nc2c1
InChIInChI=1S/C9H6BrClN2O2/c1-15-9(14)4-2-5(11)7-6(3-4)12-13-8(7)10/h2-3H,1H3,(H,12,13)
InChIKeySGDSSNDTOFWFAA-UHFFFAOYSA-N
MW289.52 g/mol
LogP2.77
Rot. Bonds1

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

methyl 3-bromo-4-chloro-2H-indazole-6-carboxylate (PubChem CID 24728389) has the molecular formula C9H6BrClN2O2 and a molecular weight of 289.52 g/mol. Its IUPAC name is methyl 3-bromo-4-chloro-2H-indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-4-chloro-2H-indazole-6-carboxylate
PubChem CID24728389
Molecular FormulaC9H6BrClN2O2
Molecular Weight289.52 g/mol
Exact Mass287.93
IUPAC Namemethyl 3-bromo-4-chloro-2H-indazole-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2c(Br)[nH]nc2c1
InChIInChI=1S/C9H6BrClN2O2/c1-15-9(14)4-2-5(11)7-6(3-4)12-13-8(7)10/h2-3H,1H3,(H,12,13)
InChIKeySGDSSNDTOFWFAA-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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Related Compounds

methyl 3-bromo-5-chloro-4-(chloromethyl)benzoate
CID 171023317
4-chloro-3-methyl-2H-indazole-6-carboxylic acid
CID 117109537
3,4-dibromo-2H-indazole-6-carboxylic acid
CID 24728404
methyl 5-bromo-4-chloro-2-oxo-1H-quinoline-7-carboxylate
CID 141490943
methyl 4-[4-(3,4-dichlorobenzoyl)benzoyl]benzoate
CID 10409472
methyl 2-(3-bromo-2-chlorophenyl)-7-chloro-1,3-benzoxazole-5-carboxylate
CID 135148185
methyl 4-tert-butyl-3,5-dichlorobenzoate
CID 175520763
methyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate
CID 131513265
methyl 3-methyl-2H-indazole-6-carboxylate
CID 22387979
methyl 2-(3-bromophenyl)-8-chloro-3,3-dimethyl-2,4-dihydro-1H-quinoline-6-carboxylate
CID 67441602
methyl 6-chloro-3-formyl-2H-indazole-4-carboxylate
CID 24728365
methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate
CID 24728090

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-4-chloro-2H-indazole-6-carboxylate?
The IUPAC name of methyl 3-bromo-4-chloro-2H-indazole-6-carboxylate (CID 24728389) is methyl 3-bromo-4-chloro-2H-indazole-6-carboxylate.
What is the SMILES notation for methyl 3-bromo-4-chloro-2H-indazole-6-carboxylate?
The canonical SMILES for methyl 3-bromo-4-chloro-2H-indazole-6-carboxylate is COC(=O)c1cc(Cl)c2c(Br)[nH]nc2c1.
What is the InChIKey of methyl 3-bromo-4-chloro-2H-indazole-6-carboxylate?
The InChIKey is SGDSSNDTOFWFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O2/c1-15-9(14)4-2-5(11)7-6(3-4)12-13-8(7)10/h2-3H,1H3,(H,12,13).
What are the key properties of methyl 3-bromo-4-chloro-2H-indazole-6-carboxylate?
methyl 3-bromo-4-chloro-2H-indazole-6-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 3-bromo-4-chloro-2H-indazole-6-carboxylate is sourced from PubChem (CID 24728389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).