2-pyridin-3-ylacetic acid;hydrochloride

C7H8ClNO2 — CID 2723724

IUPAC2-pyridin-3-ylacetic acid;hydrochloride
SMILESCl.O=C(O)Cc1cccnc1
InChIInChI=1S/C7H7NO2.ClH/c9-7(10)4-6-2-1-3-8-5-6;/h1-3,5H,4H2,(H,9,10);1H
InChIKeyXVCCOEWNFXXUEV-UHFFFAOYSA-N
MW173.60 g/mol
LogP1.13
Rot. Bonds2

About 2-pyridin-3-ylacetic acid;hydrochloride

2-pyridin-3-ylacetic acid;hydrochloride (PubChem CID 2723724) has the molecular formula C7H8ClNO2 and a molecular weight of 173.60 g/mol. Its IUPAC name is 2-pyridin-3-ylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-pyridin-3-ylacetic acid;hydrochloride
PubChem CID2723724
Molecular FormulaC7H8ClNO2
Molecular Weight173.60 g/mol
Exact Mass173.02
IUPAC Name2-pyridin-3-ylacetic acid;hydrochloride
SMILESCl.O=C(O)Cc1cccnc1
InChIInChI=1S/C7H7NO2.ClH/c9-7(10)4-6-2-1-3-8-5-6;/h1-3,5H,4H2,(H,9,10);1H
InChIKeyXVCCOEWNFXXUEV-UHFFFAOYSA-N
XLogP1.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-ylacetic acid;hydrochloride?
The IUPAC name of 2-pyridin-3-ylacetic acid;hydrochloride (CID 2723724) is 2-pyridin-3-ylacetic acid;hydrochloride.
What is the SMILES notation for 2-pyridin-3-ylacetic acid;hydrochloride?
The canonical SMILES for 2-pyridin-3-ylacetic acid;hydrochloride is Cl.O=C(O)Cc1cccnc1.
What is the InChIKey of 2-pyridin-3-ylacetic acid;hydrochloride?
The InChIKey is XVCCOEWNFXXUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.ClH/c9-7(10)4-6-2-1-3-8-5-6;/h1-3,5H,4H2,(H,9,10);1H.
What are the key properties of 2-pyridin-3-ylacetic acid;hydrochloride?
2-pyridin-3-ylacetic acid;hydrochloride has a molecular weight of 173.60 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-ylacetic acid;hydrochloride is sourced from PubChem (CID 2723724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).