2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride

C7H8BrClN2O2 — CID 131877177

IUPAC2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNc1cncc(Br)c1
InChIInChI=1S/C7H7BrN2O2.ClH/c8-5-1-6(3-9-2-5)10-4-7(11)12;/h1-3,10H,4H2,(H,11,12);1H
InChIKeyRCYKEEUPPVWIIC-UHFFFAOYSA-N
MW267.51 g/mol
LogP1.76
Rot. Bonds3

About 2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride

2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride (PubChem CID 131877177) has the molecular formula C7H8BrClN2O2 and a molecular weight of 267.51 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride
PubChem CID131877177
Molecular FormulaC7H8BrClN2O2
Molecular Weight267.51 g/mol
Exact Mass265.95
IUPAC Name2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride
SMILESCl.O=C(O)CNc1cncc(Br)c1
InChIInChI=1S/C7H7BrN2O2.ClH/c8-5-1-6(3-9-2-5)10-4-7(11)12;/h1-3,10H,4H2,(H,11,12);1H
InChIKeyRCYKEEUPPVWIIC-UHFFFAOYSA-N
XLogP1.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.51
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride (CID 131877177) is 2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride is Cl.O=C(O)CNc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride?
The InChIKey is RCYKEEUPPVWIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2.ClH/c8-5-1-6(3-9-2-5)10-4-7(11)12;/h1-3,10H,4H2,(H,11,12);1H.
What are the key properties of 2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride?
2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride has a molecular weight of 267.51 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride is sourced from PubChem (CID 131877177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).