2-(3-methyl-4-pyridinyl)propanoic acid;hydrochloride

C9H12ClNO2 — CID 138991070

IUPAC2-(3-methyl-4-pyridinyl)propanoic acid;hydrochloride
SMILESCc1cnccc1C(C)C(=O)O.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-6-5-10-4-3-8(6)7(2)9(11)12;/h3-5,7H,1-2H3,(H,11,12);1H
InChIKeyOOJMPUHPGPLTTE-UHFFFAOYSA-N
MW201.65 g/mol
LogP2.00
Rot. Bonds2

About 2-(3-methyl-4-pyridinyl)propanoic acid;hydrochloride

2-(3-methyl-4-pyridinyl)propanoic acid;hydrochloride (PubChem CID 138991070) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-(3-methyl-4-pyridinyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-methyl-4-pyridinyl)propanoic acid;hydrochloride
PubChem CID138991070
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-(3-methyl-4-pyridinyl)propanoic acid;hydrochloride
SMILESCc1cnccc1C(C)C(=O)O.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-6-5-10-4-3-8(6)7(2)9(11)12;/h3-5,7H,1-2H3,(H,11,12);1H
InChIKeyOOJMPUHPGPLTTE-UHFFFAOYSA-N
XLogP2.00
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-pyridinyl)propanoic acid;hydrochloride?
The IUPAC name of 2-(3-methyl-4-pyridinyl)propanoic acid;hydrochloride (CID 138991070) is 2-(3-methyl-4-pyridinyl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-(3-methyl-4-pyridinyl)propanoic acid;hydrochloride?
The canonical SMILES for 2-(3-methyl-4-pyridinyl)propanoic acid;hydrochloride is Cc1cnccc1C(C)C(=O)O.Cl.
What is the InChIKey of 2-(3-methyl-4-pyridinyl)propanoic acid;hydrochloride?
The InChIKey is OOJMPUHPGPLTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-6-5-10-4-3-8(6)7(2)9(11)12;/h3-5,7H,1-2H3,(H,11,12);1H.
What are the key properties of 2-(3-methyl-4-pyridinyl)propanoic acid;hydrochloride?
2-(3-methyl-4-pyridinyl)propanoic acid;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-pyridinyl)propanoic acid;hydrochloride is sourced from PubChem (CID 138991070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).