5-(aminomethyl)-2-chlorobenzoic acid;hydrochloride

C8H9Cl2NO2 — CID 67116365

IUPAC5-(aminomethyl)-2-chlorobenzoic acid;hydrochloride
SMILESCl.NCc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C8H8ClNO2.ClH/c9-7-2-1-5(4-10)3-6(7)8(11)12;/h1-3H,4,10H2,(H,11,12);1H
InChIKeyBCMTXMGSPYAJSM-UHFFFAOYSA-N
MW222.07 g/mol
LogP1.92
Rot. Bonds2

About 5-(aminomethyl)-2-chlorobenzoic acid;hydrochloride

5-(aminomethyl)-2-chlorobenzoic acid;hydrochloride (PubChem CID 67116365) has the molecular formula C8H9Cl2NO2 and a molecular weight of 222.07 g/mol. Its IUPAC name is 5-(aminomethyl)-2-chlorobenzoic acid;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-2-chlorobenzoic acid;hydrochloride
PubChem CID67116365
Molecular FormulaC8H9Cl2NO2
Molecular Weight222.07 g/mol
Exact Mass221.00
IUPAC Name5-(aminomethyl)-2-chlorobenzoic acid;hydrochloride
SMILESCl.NCc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C8H8ClNO2.ClH/c9-7-2-1-5(4-10)3-6(7)8(11)12;/h1-3H,4,10H2,(H,11,12);1H
InChIKeyBCMTXMGSPYAJSM-UHFFFAOYSA-N
XLogP1.92
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-chlorobenzoic acid;hydrochloride?
The IUPAC name of 5-(aminomethyl)-2-chlorobenzoic acid;hydrochloride (CID 67116365) is 5-(aminomethyl)-2-chlorobenzoic acid;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-2-chlorobenzoic acid;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-2-chlorobenzoic acid;hydrochloride is Cl.NCc1ccc(Cl)c(C(=O)O)c1.
What is the InChIKey of 5-(aminomethyl)-2-chlorobenzoic acid;hydrochloride?
The InChIKey is BCMTXMGSPYAJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2.ClH/c9-7-2-1-5(4-10)3-6(7)8(11)12;/h1-3H,4,10H2,(H,11,12);1H.
What are the key properties of 5-(aminomethyl)-2-chlorobenzoic acid;hydrochloride?
5-(aminomethyl)-2-chlorobenzoic acid;hydrochloride has a molecular weight of 222.07 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-chlorobenzoic acid;hydrochloride is sourced from PubChem (CID 67116365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).