methyl 3-(aminomethyl)-5-bromofuran-2-carboxylate;hydrochloride

C7H9BrClNO3 — CID 171338286

IUPACmethyl 3-(aminomethyl)-5-bromofuran-2-carboxylate;hydrochloride
SMILESCOC(=O)c1oc(Br)cc1CN.Cl
InChIInChI=1S/C7H8BrNO3.ClH/c1-11-7(10)6-4(3-9)2-5(8)12-6;/h2H,3,9H2,1H3;1H
InChIKeyOEXQCJJNYPTFQO-UHFFFAOYSA-N
MW270.51 g/mol
LogP1.71
Rot. Bonds2

About methyl 3-(aminomethyl)-5-bromofuran-2-carboxylate;hydrochloride

methyl 3-(aminomethyl)-5-bromofuran-2-carboxylate;hydrochloride (PubChem CID 171338286) has the molecular formula C7H9BrClNO3 and a molecular weight of 270.51 g/mol. Its IUPAC name is methyl 3-(aminomethyl)-5-bromofuran-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(aminomethyl)-5-bromofuran-2-carboxylate;hydrochloride
PubChem CID171338286
Molecular FormulaC7H9BrClNO3
Molecular Weight270.51 g/mol
Exact Mass268.95
IUPAC Namemethyl 3-(aminomethyl)-5-bromofuran-2-carboxylate;hydrochloride
SMILESCOC(=O)c1oc(Br)cc1CN.Cl
InChIInChI=1S/C7H8BrNO3.ClH/c1-11-7(10)6-4(3-9)2-5(8)12-6;/h2H,3,9H2,1H3;1H
InChIKeyOEXQCJJNYPTFQO-UHFFFAOYSA-N
XLogP1.71
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.51
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-bromo-3-formylfuran-2-carboxylate
CID 84696274
methyl 2-(aminomethyl)-5-bromobenzoate;hydrochloride
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methyl 3-(aminomethyl)-4-hydroxybenzoate;hydrochloride
CID 46786076
methyl 4-(aminomethyl)-3-bromobenzoate
CID 53419661
methyl 2-(aminomethyl)-5-bromobenzoate
CID 44828923
ethyl 5-bromo-3-(3-phenylpropyl)furan-2-carboxylate
CID 141345098
5-bromo-3-butylfuran-2-carboxamide
CID 170987109
methyl 5-bromo-2-propylfuran-3-carboxylate
CID 156693350
methyl 5-bromo-2-(1-bromopropyl)furan-3-carboxylate
CID 156693360
methyl 7-amino-2-bromo-1-benzofuran-5-carboxylate
CID 83920390
methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate
CID 174377629
methyl 3-(aminomethyl)-5-fluorothiophene-2-carboxylate
CID 139307516

Frequently Asked Questions

What is the IUPAC name of methyl 3-(aminomethyl)-5-bromofuran-2-carboxylate;hydrochloride?
The IUPAC name of methyl 3-(aminomethyl)-5-bromofuran-2-carboxylate;hydrochloride (CID 171338286) is methyl 3-(aminomethyl)-5-bromofuran-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-(aminomethyl)-5-bromofuran-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-(aminomethyl)-5-bromofuran-2-carboxylate;hydrochloride is COC(=O)c1oc(Br)cc1CN.Cl.
What is the InChIKey of methyl 3-(aminomethyl)-5-bromofuran-2-carboxylate;hydrochloride?
The InChIKey is OEXQCJJNYPTFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO3.ClH/c1-11-7(10)6-4(3-9)2-5(8)12-6;/h2H,3,9H2,1H3;1H.
What are the key properties of methyl 3-(aminomethyl)-5-bromofuran-2-carboxylate;hydrochloride?
methyl 3-(aminomethyl)-5-bromofuran-2-carboxylate;hydrochloride has a molecular weight of 270.51 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(aminomethyl)-5-bromofuran-2-carboxylate;hydrochloride is sourced from PubChem (CID 171338286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).