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

C9H12ClNO2 — CID 134129731

IUPAC3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride
SMILESCc1ncccc1CCC(=O)O.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-7-8(3-2-6-10-7)4-5-9(11)12;/h2-3,6H,4-5H2,1H3,(H,11,12);1H
InChIKeyYPWAJGSJKQOZPQ-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.83
Rot. Bonds3

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

3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride (PubChem CID 134129731) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride
PubChem CID134129731
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride
SMILESCc1ncccc1CCC(=O)O.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-7-8(3-2-6-10-7)4-5-9(11)12;/h2-3,6H,4-5H2,1H3,(H,11,12);1H
InChIKeyYPWAJGSJKQOZPQ-UHFFFAOYSA-N
XLogP1.83
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride?
The IUPAC name of 3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride (CID 134129731) is 3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride is Cc1ncccc1CCC(=O)O.Cl.
What is the InChIKey of 3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride?
The InChIKey is YPWAJGSJKQOZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-7-8(3-2-6-10-7)4-5-9(11)12;/h2-3,6H,4-5H2,1H3,(H,11,12);1H.
What are the key properties of 3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride?
3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride is sourced from PubChem (CID 134129731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).