methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride

C6H7BrClNO2S — CID 172915979

IUPACmethyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(Br)c(N)s1.Cl
InChIInChI=1S/C6H6BrNO2S.ClH/c1-10-6(9)4-2-3(7)5(8)11-4;/h2H,8H2,1H3;1H
InChIKeyYPWLWLPRCWNYEX-UHFFFAOYSA-N
MW272.55 g/mol
LogP2.30
Rot. Bonds1

About methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride

methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride (PubChem CID 172915979) has the molecular formula C6H7BrClNO2S and a molecular weight of 272.55 g/mol. Its IUPAC name is methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride
PubChem CID172915979
Molecular FormulaC6H7BrClNO2S
Molecular Weight272.55 g/mol
Exact Mass270.91
IUPAC Namemethyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(Br)c(N)s1.Cl
InChIInChI=1S/C6H6BrNO2S.ClH/c1-10-6(9)4-2-3(7)5(8)11-4;/h2H,8H2,1H3;1H
InChIKeyYPWLWLPRCWNYEX-UHFFFAOYSA-N
XLogP2.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.55
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride (CID 172915979) is methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride is COC(=O)c1cc(Br)c(N)s1.Cl.
What is the InChIKey of methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride?
The InChIKey is YPWLWLPRCWNYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNO2S.ClH/c1-10-6(9)4-2-3(7)5(8)11-4;/h2H,8H2,1H3;1H.
What are the key properties of methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride?
methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride has a molecular weight of 272.55 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride is sourced from PubChem (CID 172915979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).