methyl 4-bromo-1,5-dimethylindazole-3-carboxylate

C11H11BrN2O2 — CID 156526127

IUPACmethyl 4-bromo-1,5-dimethylindazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c2ccc(C)c(Br)c12
InChIInChI=1S/C11H11BrN2O2/c1-6-4-5-7-8(9(6)12)10(11(15)16-3)13-14(7)2/h4-5H,1-3H3
InChIKeyPWMJMMXFXNBJLB-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.43
Rot. Bonds1

About methyl 4-bromo-1,5-dimethylindazole-3-carboxylate

methyl 4-bromo-1,5-dimethylindazole-3-carboxylate (PubChem CID 156526127) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is methyl 4-bromo-1,5-dimethylindazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-1,5-dimethylindazole-3-carboxylate
PubChem CID156526127
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Namemethyl 4-bromo-1,5-dimethylindazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c2ccc(C)c(Br)c12
InChIInChI=1S/C11H11BrN2O2/c1-6-4-5-7-8(9(6)12)10(11(15)16-3)13-14(7)2/h4-5H,1-3H3
InChIKeyPWMJMMXFXNBJLB-UHFFFAOYSA-N
XLogP2.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methyl 6-bromo-3-methylpyridine-2-carboxylate
CID 169269843
methyl 1,4,5-trimethylpyrazole-3-carboxylate
CID 144787574
methyl 1-methyl-5-pyrrolidin-1-ylindazole-3-carboxylate
CID 168515151
methyl 1-methyl-4-oxopyrido[3,2-c]pyridazine-3-carboxylate
CID 129036154
methyl 6-(aminomethyl)-1-methylindazole-3-carboxylate
CID 84786637
methyl 3-amino-2-bromo-6-methylbenzoate
CID 131481645
methyl 4-bromo-5-methyl-1-(2,4,6-trimethylphenyl)pyrazole-3-carboxylate
CID 62795457
methyl 1-methyl-6-(2-methylbenzoyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 84581846
methyl 5-(2,2-dicyanoethenylamino)-1-methylindazole-3-carboxylate
CID 168544733
methyl 4-[(3-bromopyrazolo[1,5-a]pyridine-6-carbonyl)amino]-1-methylpyrazole-3-carboxylate
CID 166349827
methyl 4-bromo-5-methyl-1-(propoxymethyl)pyrazole-3-carboxylate
CID 178171396
methyl 2,7-dimethylindazole-3-carboxylate
CID 133060435

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-1,5-dimethylindazole-3-carboxylate?
The IUPAC name of methyl 4-bromo-1,5-dimethylindazole-3-carboxylate (CID 156526127) is methyl 4-bromo-1,5-dimethylindazole-3-carboxylate.
What is the SMILES notation for methyl 4-bromo-1,5-dimethylindazole-3-carboxylate?
The canonical SMILES for methyl 4-bromo-1,5-dimethylindazole-3-carboxylate is COC(=O)c1nn(C)c2ccc(C)c(Br)c12.
What is the InChIKey of methyl 4-bromo-1,5-dimethylindazole-3-carboxylate?
The InChIKey is PWMJMMXFXNBJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-6-4-5-7-8(9(6)12)10(11(15)16-3)13-14(7)2/h4-5H,1-3H3.
What are the key properties of methyl 4-bromo-1,5-dimethylindazole-3-carboxylate?
methyl 4-bromo-1,5-dimethylindazole-3-carboxylate has a molecular weight of 283.12 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-1,5-dimethylindazole-3-carboxylate is sourced from PubChem (CID 156526127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).