methyl 4-bromo-1-methylindazole-7-carboxylate

C10H9BrN2O2 — CID 131382955

IUPACmethyl 4-bromo-1-methylindazole-7-carboxylate
SMILESCOC(=O)c1ccc(Br)c2cnn(C)c12
InChIInChI=1S/C10H9BrN2O2/c1-13-9-6(10(14)15-2)3-4-8(11)7(9)5-12-13/h3-5H,1-2H3
InChIKeyUBMPFXFGSDOSKW-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.12
Rot. Bonds1

About methyl 4-bromo-1-methylindazole-7-carboxylate

methyl 4-bromo-1-methylindazole-7-carboxylate (PubChem CID 131382955) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is methyl 4-bromo-1-methylindazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-1-methylindazole-7-carboxylate
PubChem CID131382955
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Namemethyl 4-bromo-1-methylindazole-7-carboxylate
SMILESCOC(=O)c1ccc(Br)c2cnn(C)c12
InChIInChI=1S/C10H9BrN2O2/c1-13-9-6(10(14)15-2)3-4-8(11)7(9)5-12-13/h3-5H,1-2H3
InChIKeyUBMPFXFGSDOSKW-UHFFFAOYSA-N
XLogP2.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1,4-dimethylindazole-7-carboxylate
CID 58524149
4-bromo-7-fluoro-1-methylindazole
CID 118080283
methyl 2-methyl-1-oxophthalazine-5-carboxylate
CID 167974102
methyl 4-bromo-1-iodosulfanyl-2-methylindole-7-carboxylate
CID 138641352
methyl 4-bromo-5-chloro-6-fluoro-1-methylindazole-7-carboxylate
CID 155684518
4-bromo-1-methyl-7-(trifluoromethyl)indazole
CID 175615684
methyl 4-bromo-2-propan-2-ylindazole-7-carboxylate
CID 167501578
methyl 1-[1-(4-bromophenyl)ethyl]-4-chloroindazole-7-carboxylate
CID 153439806
7-bromo-1,4-dimethylindazole
CID 131422474
4-bromo-1-methylindazole-6-carboxamide;methyl 4-bromo-1-methylindazole-6-carboxylate
CID 159541416
7-methoxy-1-methylindazole-6-carboxylic acid
CID 117109695
methyl 3,4-dibromo-2-nitrobenzoate
CID 171022557

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-1-methylindazole-7-carboxylate?
The IUPAC name of methyl 4-bromo-1-methylindazole-7-carboxylate (CID 131382955) is methyl 4-bromo-1-methylindazole-7-carboxylate.
What is the SMILES notation for methyl 4-bromo-1-methylindazole-7-carboxylate?
The canonical SMILES for methyl 4-bromo-1-methylindazole-7-carboxylate is COC(=O)c1ccc(Br)c2cnn(C)c12.
What is the InChIKey of methyl 4-bromo-1-methylindazole-7-carboxylate?
The InChIKey is UBMPFXFGSDOSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-13-9-6(10(14)15-2)3-4-8(11)7(9)5-12-13/h3-5H,1-2H3.
What are the key properties of methyl 4-bromo-1-methylindazole-7-carboxylate?
methyl 4-bromo-1-methylindazole-7-carboxylate has a molecular weight of 269.10 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-1-methylindazole-7-carboxylate is sourced from PubChem (CID 131382955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).