ethyl 5-bromo-4-nitroso-1H-indazole-3-carboxylate

C10H8BrN3O3 — CID 134178727

IUPACethyl 5-bromo-4-nitroso-1H-indazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2ccc(Br)c(N=O)c12
InChIInChI=1S/C10H8BrN3O3/c1-2-17-10(15)9-7-6(12-13-9)4-3-5(11)8(7)14-16/h3-4H,2H2,1H3,(H,12,13)
InChIKeyWQTUEYCKXNGRSA-UHFFFAOYSA-N
MW298.10 g/mol
LogP2.90
Rot. Bonds3

About ethyl 5-bromo-4-nitroso-1H-indazole-3-carboxylate

ethyl 5-bromo-4-nitroso-1H-indazole-3-carboxylate (PubChem CID 134178727) has the molecular formula C10H8BrN3O3 and a molecular weight of 298.10 g/mol. Its IUPAC name is ethyl 5-bromo-4-nitroso-1H-indazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-bromo-4-nitroso-1H-indazole-3-carboxylate
PubChem CID134178727
Molecular FormulaC10H8BrN3O3
Molecular Weight298.10 g/mol
Exact Mass296.97
IUPAC Nameethyl 5-bromo-4-nitroso-1H-indazole-3-carboxylate
SMILESCCOC(=O)c1n[nH]c2ccc(Br)c(N=O)c12
InChIInChI=1S/C10H8BrN3O3/c1-2-17-10(15)9-7-6(12-13-9)4-3-5(11)8(7)14-16/h3-4H,2H2,1H3,(H,12,13)
InChIKeyWQTUEYCKXNGRSA-UHFFFAOYSA-N
XLogP2.90
TPSA84.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-bromo-4-nitro-1H-indazole-3-carboxylate
CID 76846261
ethyl 4-(trifluoromethoxy)-1H-indazole-3-carboxylate
CID 133062991
ethyl 4-amino-5-bromo-1H-pyrazole-3-carboxylate
CID 75525002
ethyl 3,6-dibromopyridine-2-carboxylate
CID 46311333
ethyl 4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxylate
CID 71308089
ethane;ethyl 4,5-dimethyl-1H-pyrazole-3-carboxylate
CID 145047369
ethyl 5-bromo-4-methyl-1,2-benzoxazole-3-carboxylate
CID 134129683
ethyl 5-bromo-4-cyano-1H-pyrazole-3-carboxylate
CID 118651490
5-ethoxycarbonyl-2H-triazole-4-carboxylic acid
CID 12998518
ethyl 5-(4-bromo-2-fluoro-3-methylphenyl)-2H-triazole-4-carboxylate
CID 169401842
ethyl 2,6-dibromo-3-methylbenzoate
CID 131699651
ethyl 2-(1H-indazol-3-yl)-2-oxoacetate
CID 70319285

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromo-4-nitroso-1H-indazole-3-carboxylate?
The IUPAC name of ethyl 5-bromo-4-nitroso-1H-indazole-3-carboxylate (CID 134178727) is ethyl 5-bromo-4-nitroso-1H-indazole-3-carboxylate.
What is the SMILES notation for ethyl 5-bromo-4-nitroso-1H-indazole-3-carboxylate?
The canonical SMILES for ethyl 5-bromo-4-nitroso-1H-indazole-3-carboxylate is CCOC(=O)c1n[nH]c2ccc(Br)c(N=O)c12.
What is the InChIKey of ethyl 5-bromo-4-nitroso-1H-indazole-3-carboxylate?
The InChIKey is WQTUEYCKXNGRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O3/c1-2-17-10(15)9-7-6(12-13-9)4-3-5(11)8(7)14-16/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of ethyl 5-bromo-4-nitroso-1H-indazole-3-carboxylate?
ethyl 5-bromo-4-nitroso-1H-indazole-3-carboxylate has a molecular weight of 298.10 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromo-4-nitroso-1H-indazole-3-carboxylate is sourced from PubChem (CID 134178727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).