2-(3-methyl-2-pyridinyl)acetic acid;hydrochloride

C8H10ClNO2 — CID 75531178

IUPAC2-(3-methyl-2-pyridinyl)acetic acid;hydrochloride
SMILESCc1cccnc1CC(=O)O.Cl
InChIInChI=1S/C8H9NO2.ClH/c1-6-3-2-4-9-7(6)5-8(10)11;/h2-4H,5H2,1H3,(H,10,11);1H
InChIKeyJIEJZPKLYBSNHB-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.44
Rot. Bonds2

About 2-(3-methyl-2-pyridinyl)acetic acid;hydrochloride

2-(3-methyl-2-pyridinyl)acetic acid;hydrochloride (PubChem CID 75531178) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-(3-methyl-2-pyridinyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-methyl-2-pyridinyl)acetic acid;hydrochloride
PubChem CID75531178
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name2-(3-methyl-2-pyridinyl)acetic acid;hydrochloride
SMILESCc1cccnc1CC(=O)O.Cl
InChIInChI=1S/C8H9NO2.ClH/c1-6-3-2-4-9-7(6)5-8(10)11;/h2-4H,5H2,1H3,(H,10,11);1H
InChIKeyJIEJZPKLYBSNHB-UHFFFAOYSA-N
XLogP1.44
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-pyridinyl)acetic acid;hydrochloride?
The IUPAC name of 2-(3-methyl-2-pyridinyl)acetic acid;hydrochloride (CID 75531178) is 2-(3-methyl-2-pyridinyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3-methyl-2-pyridinyl)acetic acid;hydrochloride?
The canonical SMILES for 2-(3-methyl-2-pyridinyl)acetic acid;hydrochloride is Cc1cccnc1CC(=O)O.Cl.
What is the InChIKey of 2-(3-methyl-2-pyridinyl)acetic acid;hydrochloride?
The InChIKey is JIEJZPKLYBSNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.ClH/c1-6-3-2-4-9-7(6)5-8(10)11;/h2-4H,5H2,1H3,(H,10,11);1H.
What are the key properties of 2-(3-methyl-2-pyridinyl)acetic acid;hydrochloride?
2-(3-methyl-2-pyridinyl)acetic acid;hydrochloride has a molecular weight of 187.63 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-pyridinyl)acetic acid;hydrochloride is sourced from PubChem (CID 75531178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).