2-(5-bromo-2-pyridinyl)acetic acid;hydrochloride

C7H7BrClNO2 — CID 53403686

IUPAC2-(5-bromo-2-pyridinyl)acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1ccc(Br)cn1
InChIInChI=1S/C7H6BrNO2.ClH/c8-5-1-2-6(9-4-5)3-7(10)11;/h1-2,4H,3H2,(H,10,11);1H
InChIKeyUKCMZTWJKONCLC-UHFFFAOYSA-N
MW252.50 g/mol
LogP1.89
Rot. Bonds2

About 2-(5-bromo-2-pyridinyl)acetic acid;hydrochloride

2-(5-bromo-2-pyridinyl)acetic acid;hydrochloride (PubChem CID 53403686) has the molecular formula C7H7BrClNO2 and a molecular weight of 252.50 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)acetic acid;hydrochloride
PubChem CID53403686
Molecular FormulaC7H7BrClNO2
Molecular Weight252.50 g/mol
Exact Mass250.93
IUPAC Name2-(5-bromo-2-pyridinyl)acetic acid;hydrochloride
SMILESCl.O=C(O)Cc1ccc(Br)cn1
InChIInChI=1S/C7H6BrNO2.ClH/c8-5-1-2-6(9-4-5)3-7(10)11;/h1-2,4H,3H2,(H,10,11);1H
InChIKeyUKCMZTWJKONCLC-UHFFFAOYSA-N
XLogP1.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)acetic acid;hydrochloride?
The IUPAC name of 2-(5-bromo-2-pyridinyl)acetic acid;hydrochloride (CID 53403686) is 2-(5-bromo-2-pyridinyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)acetic acid;hydrochloride?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)acetic acid;hydrochloride is Cl.O=C(O)Cc1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)acetic acid;hydrochloride?
The InChIKey is UKCMZTWJKONCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO2.ClH/c8-5-1-2-6(9-4-5)3-7(10)11;/h1-2,4H,3H2,(H,10,11);1H.
What are the key properties of 2-(5-bromo-2-pyridinyl)acetic acid;hydrochloride?
2-(5-bromo-2-pyridinyl)acetic acid;hydrochloride has a molecular weight of 252.50 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)acetic acid;hydrochloride is sourced from PubChem (CID 53403686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).