2-methyl-2,3-dihydropyridine-4-carboxylic acid

C7H9NO2 — CID 118281598

IUPAC2-methyl-2,3-dihydropyridine-4-carboxylic acid
SMILESCC1CC(C(=O)O)=CC=N1
InChIInChI=1S/C7H9NO2/c1-5-4-6(7(9)10)2-3-8-5/h2-3,5H,4H2,1H3,(H,9,10)
InChIKeyRBZHFVMXQUVDSQ-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.86
Rot. Bonds1

About 2-methyl-2,3-dihydropyridine-4-carboxylic acid

2-methyl-2,3-dihydropyridine-4-carboxylic acid (PubChem CID 118281598) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-methyl-2,3-dihydropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2,3-dihydropyridine-4-carboxylic acid
PubChem CID118281598
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2-methyl-2,3-dihydropyridine-4-carboxylic acid
SMILESCC1CC(C(=O)O)=CC=N1
InChIInChI=1S/C7H9NO2/c1-5-4-6(7(9)10)2-3-8-5/h2-3,5H,4H2,1H3,(H,9,10)
InChIKeyRBZHFVMXQUVDSQ-UHFFFAOYSA-N
XLogP0.86
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydropyridine-4-carboxylic acid?
The IUPAC name of 2-methyl-2,3-dihydropyridine-4-carboxylic acid (CID 118281598) is 2-methyl-2,3-dihydropyridine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-2,3-dihydropyridine-4-carboxylic acid?
The canonical SMILES for 2-methyl-2,3-dihydropyridine-4-carboxylic acid is CC1CC(C(=O)O)=CC=N1.
What is the InChIKey of 2-methyl-2,3-dihydropyridine-4-carboxylic acid?
The InChIKey is RBZHFVMXQUVDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-4-6(7(9)10)2-3-8-5/h2-3,5H,4H2,1H3,(H,9,10).
What are the key properties of 2-methyl-2,3-dihydropyridine-4-carboxylic acid?
2-methyl-2,3-dihydropyridine-4-carboxylic acid has a molecular weight of 139.15 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydropyridine-4-carboxylic acid is sourced from PubChem (CID 118281598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).