1-methyl-3,6-dihydro-2H-pyridine-3-carboxylic acid

C7H11NO2 — CID 13032587

IUPAC1-methyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
SMILESCN1CC=CC(C(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-3,6H,4-5H2,1H3,(H,9,10)
InChIKeyCPZNNPFYSMLRIQ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.19
Rot. Bonds1

About 1-methyl-3,6-dihydro-2H-pyridine-3-carboxylic acid

1-methyl-3,6-dihydro-2H-pyridine-3-carboxylic acid (PubChem CID 13032587) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-methyl-3,6-dihydro-2H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
PubChem CID13032587
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-methyl-3,6-dihydro-2H-pyridine-3-carboxylic acid
SMILESCN1CC=CC(C(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-3,6H,4-5H2,1H3,(H,9,10)
InChIKeyCPZNNPFYSMLRIQ-UHFFFAOYSA-N
XLogP0.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,6-dihydro-2H-pyridine-3-carboxylic acid?
The IUPAC name of 1-methyl-3,6-dihydro-2H-pyridine-3-carboxylic acid (CID 13032587) is 1-methyl-3,6-dihydro-2H-pyridine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-3,6-dihydro-2H-pyridine-3-carboxylic acid?
The canonical SMILES for 1-methyl-3,6-dihydro-2H-pyridine-3-carboxylic acid is CN1CC=CC(C(=O)O)C1.
What is the InChIKey of 1-methyl-3,6-dihydro-2H-pyridine-3-carboxylic acid?
The InChIKey is CPZNNPFYSMLRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-3,6H,4-5H2,1H3,(H,9,10).
What are the key properties of 1-methyl-3,6-dihydro-2H-pyridine-3-carboxylic acid?
1-methyl-3,6-dihydro-2H-pyridine-3-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,6-dihydro-2H-pyridine-3-carboxylic acid is sourced from PubChem (CID 13032587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).