ethyl 3-bromo-2H-indazole-5-carboximidate;hydrochloride

C10H11BrClN3O — CID 67517725

IUPACethyl 3-bromo-2H-indazole-5-carboximidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)c1ccc2n[nH]c(Br)c2c1
InChIInChI=1S/C10H10BrN3O.ClH/c1-2-15-10(12)6-3-4-8-7(5-6)9(11)14-13-8;/h3-5,12H,2H2,1H3,(H,13,14);1H/b12-10-;
InChIKeyBVGKXFHSBPWCGF-BBJSDXRSSA-N
MW304.58 g/mol
LogP3.11
Rot. Bonds2

About ethyl 3-bromo-2H-indazole-5-carboximidate;hydrochloride

ethyl 3-bromo-2H-indazole-5-carboximidate;hydrochloride (PubChem CID 67517725) has the molecular formula C10H11BrClN3O and a molecular weight of 304.58 g/mol. Its IUPAC name is ethyl 3-bromo-2H-indazole-5-carboximidate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-bromo-2H-indazole-5-carboximidate;hydrochloride
PubChem CID67517725
Molecular FormulaC10H11BrClN3O
Molecular Weight304.58 g/mol
Exact Mass302.98
IUPAC Nameethyl 3-bromo-2H-indazole-5-carboximidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)c1ccc2n[nH]c(Br)c2c1
InChIInChI=1S/C10H10BrN3O.ClH/c1-2-15-10(12)6-3-4-8-7(5-6)9(11)14-13-8;/h3-5,12H,2H2,1H3,(H,13,14);1H/b12-10-;
InChIKeyBVGKXFHSBPWCGF-BBJSDXRSSA-N
XLogP3.11
TPSA61.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.58
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-2H-indazole-5-carboximidate;hydrochloride?
The IUPAC name of ethyl 3-bromo-2H-indazole-5-carboximidate;hydrochloride (CID 67517725) is ethyl 3-bromo-2H-indazole-5-carboximidate;hydrochloride.
What is the SMILES notation for ethyl 3-bromo-2H-indazole-5-carboximidate;hydrochloride?
The canonical SMILES for ethyl 3-bromo-2H-indazole-5-carboximidate;hydrochloride is Cl.[H]/N=C(\OCC)c1ccc2n[nH]c(Br)c2c1.
What is the InChIKey of ethyl 3-bromo-2H-indazole-5-carboximidate;hydrochloride?
The InChIKey is BVGKXFHSBPWCGF-BBJSDXRSSA-N. The full InChI is InChI=1S/C10H10BrN3O.ClH/c1-2-15-10(12)6-3-4-8-7(5-6)9(11)14-13-8;/h3-5,12H,2H2,1H3,(H,13,14);1H/b12-10-;.
What are the key properties of ethyl 3-bromo-2H-indazole-5-carboximidate;hydrochloride?
ethyl 3-bromo-2H-indazole-5-carboximidate;hydrochloride has a molecular weight of 304.58 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-2H-indazole-5-carboximidate;hydrochloride is sourced from PubChem (CID 67517725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).