methyl 7-bromo-1-ethylindazole-3-carboxylate

C11H11BrN2O2 — CID 137376343

IUPACmethyl 7-bromo-1-ethylindazole-3-carboxylate
SMILESCCn1nc(C(=O)OC)c2cccc(Br)c21
InChIInChI=1S/C11H11BrN2O2/c1-3-14-10-7(5-4-6-8(10)12)9(13-14)11(15)16-2/h4-6H,3H2,1-2H3
InChIKeyPCXZVPIKSUQPJS-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.61
Rot. Bonds2

About methyl 7-bromo-1-ethylindazole-3-carboxylate

methyl 7-bromo-1-ethylindazole-3-carboxylate (PubChem CID 137376343) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is methyl 7-bromo-1-ethylindazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromo-1-ethylindazole-3-carboxylate
PubChem CID137376343
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Namemethyl 7-bromo-1-ethylindazole-3-carboxylate
SMILESCCn1nc(C(=O)OC)c2cccc(Br)c21
InChIInChI=1S/C11H11BrN2O2/c1-3-14-10-7(5-4-6-8(10)12)9(13-14)11(15)16-2/h4-6H,3H2,1-2H3
InChIKeyPCXZVPIKSUQPJS-UHFFFAOYSA-N
XLogP2.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-bromo-1-ethylindazole-3-carboxylate
CID 170559421
methyl 1-(2-methylpropyl)indazole-3-carboxylate
CID 10489745
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 27956228
methyl 1-(3-methoxypropyl)indazole-3-carboxylate
CID 68501253
methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117254883
8-bromo-1-methoxycarbonylimidazo[1,5-a]pyridine-3-carboxylic acid
CID 117255069
methyl 1-(3-cyanopropyl)indazole-3-carboxylate
CID 68892890
methyl 4-[(4-bromo-1-ethylpyrazole-5-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 4863063
methyl 5-amino-1-[2-[(2-bromophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylate
CID 112707356
methyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-4,5-dimethoxybenzoate
CID 7742229
methyl 5-bromo-2-ethyl-1,2,4-triazole-3-carboxylate
CID 154577097
3-ethyl-4-oxophthalazine-1-carboxylate
CID 2388830

Frequently Asked Questions

What is the IUPAC name of methyl 7-bromo-1-ethylindazole-3-carboxylate?
The IUPAC name of methyl 7-bromo-1-ethylindazole-3-carboxylate (CID 137376343) is methyl 7-bromo-1-ethylindazole-3-carboxylate.
What is the SMILES notation for methyl 7-bromo-1-ethylindazole-3-carboxylate?
The canonical SMILES for methyl 7-bromo-1-ethylindazole-3-carboxylate is CCn1nc(C(=O)OC)c2cccc(Br)c21.
What is the InChIKey of methyl 7-bromo-1-ethylindazole-3-carboxylate?
The InChIKey is PCXZVPIKSUQPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-3-14-10-7(5-4-6-8(10)12)9(13-14)11(15)16-2/h4-6H,3H2,1-2H3.
What are the key properties of methyl 7-bromo-1-ethylindazole-3-carboxylate?
methyl 7-bromo-1-ethylindazole-3-carboxylate has a molecular weight of 283.12 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromo-1-ethylindazole-3-carboxylate is sourced from PubChem (CID 137376343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).