2-[(5-chloro-2-pyridinyl)-methylamino]acetic acid;hydrochloride

C8H10Cl2N2O2 — CID 122164112

IUPAC2-[(5-chloro-2-pyridinyl)-methylamino]acetic acid;hydrochloride
SMILESCN(CC(=O)O)c1ccc(Cl)cn1.Cl
InChIInChI=1S/C8H9ClN2O2.ClH/c1-11(5-8(12)13)7-3-2-6(9)4-10-7;/h2-4H,5H2,1H3,(H,12,13);1H
InChIKeyXPGNXPIRVTUYEC-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.68
Rot. Bonds3

About 2-[(5-chloro-2-pyridinyl)-methylamino]acetic acid;hydrochloride

2-[(5-chloro-2-pyridinyl)-methylamino]acetic acid;hydrochloride (PubChem CID 122164112) has the molecular formula C8H10Cl2N2O2 and a molecular weight of 237.09 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)-methylamino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)-methylamino]acetic acid;hydrochloride
PubChem CID122164112
Molecular FormulaC8H10Cl2N2O2
Molecular Weight237.09 g/mol
Exact Mass236.01
IUPAC Name2-[(5-chloro-2-pyridinyl)-methylamino]acetic acid;hydrochloride
SMILESCN(CC(=O)O)c1ccc(Cl)cn1.Cl
InChIInChI=1S/C8H9ClN2O2.ClH/c1-11(5-8(12)13)7-3-2-6(9)4-10-7;/h2-4H,5H2,1H3,(H,12,13);1H
InChIKeyXPGNXPIRVTUYEC-UHFFFAOYSA-N
XLogP1.68
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]acetic acid;hydrochloride?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]acetic acid;hydrochloride (CID 122164112) is 2-[(5-chloro-2-pyridinyl)-methylamino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)-methylamino]acetic acid;hydrochloride?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)-methylamino]acetic acid;hydrochloride is CN(CC(=O)O)c1ccc(Cl)cn1.Cl.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)-methylamino]acetic acid;hydrochloride?
The InChIKey is XPGNXPIRVTUYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2.ClH/c1-11(5-8(12)13)7-3-2-6(9)4-10-7;/h2-4H,5H2,1H3,(H,12,13);1H.
What are the key properties of 2-[(5-chloro-2-pyridinyl)-methylamino]acetic acid;hydrochloride?
2-[(5-chloro-2-pyridinyl)-methylamino]acetic acid;hydrochloride has a molecular weight of 237.09 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)-methylamino]acetic acid;hydrochloride is sourced from PubChem (CID 122164112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).