2-(5-methyl-3-pyridinyl)acetic acid;hydrochloride

C8H10ClNO2 — CID 75481482

IUPAC2-(5-methyl-3-pyridinyl)acetic acid;hydrochloride
SMILESCc1cncc(CC(=O)O)c1.Cl
InChIInChI=1S/C8H9NO2.ClH/c1-6-2-7(3-8(10)11)5-9-4-6;/h2,4-5H,3H2,1H3,(H,10,11);1H
InChIKeyHMFMEZLIIZJFLL-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.44
Rot. Bonds2

About 2-(5-methyl-3-pyridinyl)acetic acid;hydrochloride

2-(5-methyl-3-pyridinyl)acetic acid;hydrochloride (PubChem CID 75481482) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-(5-methyl-3-pyridinyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(5-methyl-3-pyridinyl)acetic acid;hydrochloride
PubChem CID75481482
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name2-(5-methyl-3-pyridinyl)acetic acid;hydrochloride
SMILESCc1cncc(CC(=O)O)c1.Cl
InChIInChI=1S/C8H9NO2.ClH/c1-6-2-7(3-8(10)11)5-9-4-6;/h2,4-5H,3H2,1H3,(H,10,11);1H
InChIKeyHMFMEZLIIZJFLL-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-(5-methyl-3-pyridinyl)acetic acid;hydrochloride?
The IUPAC name of 2-(5-methyl-3-pyridinyl)acetic acid;hydrochloride (CID 75481482) is 2-(5-methyl-3-pyridinyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(5-methyl-3-pyridinyl)acetic acid;hydrochloride?
The canonical SMILES for 2-(5-methyl-3-pyridinyl)acetic acid;hydrochloride is Cc1cncc(CC(=O)O)c1.Cl.
What is the InChIKey of 2-(5-methyl-3-pyridinyl)acetic acid;hydrochloride?
The InChIKey is HMFMEZLIIZJFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.ClH/c1-6-2-7(3-8(10)11)5-9-4-6;/h2,4-5H,3H2,1H3,(H,10,11);1H.
What are the key properties of 2-(5-methyl-3-pyridinyl)acetic acid;hydrochloride?
2-(5-methyl-3-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-(5-methyl-3-pyridinyl)acetic acid;hydrochloride is sourced from PubChem (CID 75481482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).