2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride

C13H12BrClN2O2 — CID 24730356

IUPAC2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1ccc(-c2ccc(Br)cc2)nc1
InChIInChI=1S/C13H11BrN2O2.ClH/c14-10-4-1-8(2-5-10)11-6-3-9(7-16-11)12(15)13(17)18;/h1-7,12H,15H2,(H,17,18);1H
InChIKeyBLLOJNCBQVWIIV-UHFFFAOYSA-N
MW343.61 g/mol
LogP3.02
Rot. Bonds3

About 2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride

2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride (PubChem CID 24730356) has the molecular formula C13H12BrClN2O2 and a molecular weight of 343.61 g/mol. Its IUPAC name is 2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride
PubChem CID24730356
Molecular FormulaC13H12BrClN2O2
Molecular Weight343.61 g/mol
Exact Mass341.98
IUPAC Name2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1ccc(-c2ccc(Br)cc2)nc1
InChIInChI=1S/C13H11BrN2O2.ClH/c14-10-4-1-8(2-5-10)11-6-3-9(7-16-11)12(15)13(17)18;/h1-7,12H,15H2,(H,17,18);1H
InChIKeyBLLOJNCBQVWIIV-UHFFFAOYSA-N
XLogP3.02
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride?
The IUPAC name of 2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride (CID 24730356) is 2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride is Cl.NC(C(=O)O)c1ccc(-c2ccc(Br)cc2)nc1.
What is the InChIKey of 2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride?
The InChIKey is BLLOJNCBQVWIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2.ClH/c14-10-4-1-8(2-5-10)11-6-3-9(7-16-11)12(15)13(17)18;/h1-7,12H,15H2,(H,17,18);1H.
What are the key properties of 2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride?
2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride has a molecular weight of 343.61 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[6-(4-bromophenyl)-3-pyridinyl]acetic acid;hydrochloride is sourced from PubChem (CID 24730356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).