methyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate

C9H6BrFN2O2 — CID 131513265

IUPACmethyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate
SMILESCOC(=O)c1cc2n[nH]c(Br)c2cc1F
InChIInChI=1S/C9H6BrFN2O2/c1-15-9(14)4-3-7-5(2-6(4)11)8(10)13-12-7/h2-3H,1H3,(H,12,13)
InChIKeyFJRWFHZCQWWRCY-UHFFFAOYSA-N
MW273.06 g/mol
LogP2.25
Rot. Bonds1

About methyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate

methyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate (PubChem CID 131513265) has the molecular formula C9H6BrFN2O2 and a molecular weight of 273.06 g/mol. Its IUPAC name is methyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate
PubChem CID131513265
Molecular FormulaC9H6BrFN2O2
Molecular Weight273.06 g/mol
Exact Mass271.96
IUPAC Namemethyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate
SMILESCOC(=O)c1cc2n[nH]c(Br)c2cc1F
InChIInChI=1S/C9H6BrFN2O2/c1-15-9(14)4-3-7-5(2-6(4)11)8(10)13-12-7/h2-3H,1H3,(H,12,13)
InChIKeyFJRWFHZCQWWRCY-UHFFFAOYSA-N
XLogP2.25
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.06
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-iodo-5-methyl-2H-indazole-6-carboxylate
CID 123135201
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
methyl 4-bromo-5-fluoro-1H-indazole-7-carboxylate
CID 167501849
methyl 5-(4-bromobenzoyl)-2-fluorobenzoate
CID 66724811
ethane;methyl 5-fluoro-3-methyl-1H-indole-6-carboxylate
CID 145387851
methyl 3-bromo-6-fluoro-1-methylindole-5-carboxylate
CID 137376226
methyl 3-bromo-4-chloro-2H-indazole-6-carboxylate
CID 24728389
methyl 6-bromo-3-formyl-2H-indazole-4-carboxylate
CID 24728090
methyl 4-bromo-2,3,5-trifluorobenzoate
CID 122620788
methyl 4-bromo-5-chlorosulfonyl-2-fluorobenzoate
CID 43436763
3-(3,4-difluoro-5-methoxycarbonylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117453271
methyl 3-bromo-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 131552131

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate?
The IUPAC name of methyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate (CID 131513265) is methyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate.
What is the SMILES notation for methyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate?
The canonical SMILES for methyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate is COC(=O)c1cc2n[nH]c(Br)c2cc1F.
What is the InChIKey of methyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate?
The InChIKey is FJRWFHZCQWWRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O2/c1-15-9(14)4-3-7-5(2-6(4)11)8(10)13-12-7/h2-3H,1H3,(H,12,13).
What are the key properties of methyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate?
methyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate has a molecular weight of 273.06 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-5-fluoro-2H-indazole-6-carboxylate is sourced from PubChem (CID 131513265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).