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

C7H11NO2 — CID 13032577

IUPAC3-methyl-2,6-dihydro-1H-pyridine-3-carboxylic acid
SMILESCC1(C(=O)O)C=CCNC1
InChIInChI=1S/C7H11NO2/c1-7(6(9)10)3-2-4-8-5-7/h2-3,8H,4-5H2,1H3,(H,9,10)
InChIKeyQMCJCWHLCAKLPC-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.24
Rot. Bonds1

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

3-methyl-2,6-dihydro-1H-pyridine-3-carboxylic acid (PubChem CID 13032577) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2,6-dihydro-1H-pyridine-3-carboxylic acid
PubChem CID13032577
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-methyl-2,6-dihydro-1H-pyridine-3-carboxylic acid
SMILESCC1(C(=O)O)C=CCNC1
InChIInChI=1S/C7H11NO2/c1-7(6(9)10)3-2-4-8-5-7/h2-3,8H,4-5H2,1H3,(H,9,10)
InChIKeyQMCJCWHLCAKLPC-UHFFFAOYSA-N
XLogP0.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.24
H-Bond Donors ≤ 52
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 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylic acid?
The IUPAC name of 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylic acid (CID 13032577) is 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylic acid is CC1(C(=O)O)C=CCNC1.
What is the InChIKey of 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylic acid?
The InChIKey is QMCJCWHLCAKLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-7(6(9)10)3-2-4-8-5-7/h2-3,8H,4-5H2,1H3,(H,9,10).
What are the key properties of 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylic acid?
3-methyl-2,6-dihydro-1H-pyridine-3-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,6-dihydro-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 13032577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).