methyl 5-bromo-1-ethylindazole-3-carboxylate

C11H11BrN2O2 — CID 170559421

IUPACmethyl 5-bromo-1-ethylindazole-3-carboxylate
SMILESCCn1nc(C(=O)OC)c2cc(Br)ccc21
InChIInChI=1S/C11H11BrN2O2/c1-3-14-9-5-4-7(12)6-8(9)10(13-14)11(15)16-2/h4-6H,3H2,1-2H3
InChIKeyCASPFZYZSJHFOD-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.61
Rot. Bonds2

About methyl 5-bromo-1-ethylindazole-3-carboxylate

methyl 5-bromo-1-ethylindazole-3-carboxylate (PubChem CID 170559421) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.13 g/mol. Its IUPAC name is methyl 5-bromo-1-ethylindazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-1-ethylindazole-3-carboxylate
PubChem CID170559421
Molecular FormulaC11H11BrN2O2
Molecular Weight283.13 g/mol
Exact Mass282.00
IUPAC Namemethyl 5-bromo-1-ethylindazole-3-carboxylate
SMILESCCn1nc(C(=O)OC)c2cc(Br)ccc21
InChIInChI=1S/C11H11BrN2O2/c1-3-14-9-5-4-7(12)6-8(9)10(13-14)11(15)16-2/h4-6H,3H2,1-2H3
InChIKeyCASPFZYZSJHFOD-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 ≤ 500283.13
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-bromo-1-butan-2-ylindazole-3-carboxylate
CID 175498315
methyl 5-bromo-1-[(2S)-butan-2-yl]indazole-3-carboxylate
CID 170559471
methyl 1-benzoyl-5-bromoindazole-3-carboxylate
CID 71819101
methyl 7-bromo-1-ethylindazole-3-carboxylate
CID 137376343
5-bromo-1-(2,2,2-trifluoroethyl)indazole-3-carboxylic acid
CID 67230679
methyl 5-bromo-1-(2-methylpropyl)pyrazolo[5,4-b]pyridine-3-carboxylate
CID 154814868
ditert-butyl 5-bromoindazole-1,3-dicarboxylate
CID 68993188
methyl 1-(2-methylpropyl)indazole-3-carboxylate
CID 10489745
5-bromo-1-methylindazole-3-carboxylic acid
CID 67230358
1-(5-bromo-1-methylindazol-3-yl)ethanone
CID 82623224
methyl 2-(5-bromo-1-methylindazol-3-yl)acetate
CID 129278070
5-bromo-2-ethylindazole-3-carboxylic acid
CID 84729960

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-1-ethylindazole-3-carboxylate?
The IUPAC name of methyl 5-bromo-1-ethylindazole-3-carboxylate (CID 170559421) is methyl 5-bromo-1-ethylindazole-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-1-ethylindazole-3-carboxylate?
The canonical SMILES for methyl 5-bromo-1-ethylindazole-3-carboxylate is CCn1nc(C(=O)OC)c2cc(Br)ccc21.
What is the InChIKey of methyl 5-bromo-1-ethylindazole-3-carboxylate?
The InChIKey is CASPFZYZSJHFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-3-14-9-5-4-7(12)6-8(9)10(13-14)11(15)16-2/h4-6H,3H2,1-2H3.
What are the key properties of methyl 5-bromo-1-ethylindazole-3-carboxylate?
methyl 5-bromo-1-ethylindazole-3-carboxylate has a molecular weight of 283.13 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 5-bromo-1-ethylindazole-3-carboxylate is sourced from PubChem (CID 170559421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).