5-methyl-2,5-dihydropyridine-3-carboxylic acid

C7H9NO2 — CID 90725920

IUPAC5-methyl-2,5-dihydropyridine-3-carboxylic acid
SMILESCC1C=NCC(C(=O)O)=C1
InChIInChI=1S/C7H9NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-3,5H,4H2,1H3,(H,9,10)
InChIKeyZNHWQUFBIZLHRJ-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.72
Rot. Bonds1

About 5-methyl-2,5-dihydropyridine-3-carboxylic acid

5-methyl-2,5-dihydropyridine-3-carboxylic acid (PubChem CID 90725920) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 5-methyl-2,5-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2,5-dihydropyridine-3-carboxylic acid
PubChem CID90725920
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name5-methyl-2,5-dihydropyridine-3-carboxylic acid
SMILESCC1C=NCC(C(=O)O)=C1
InChIInChI=1S/C7H9NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-3,5H,4H2,1H3,(H,9,10)
InChIKeyZNHWQUFBIZLHRJ-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,5-dihydropyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-2,5-dihydropyridine-3-carboxylic acid (CID 90725920) is 5-methyl-2,5-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2,5-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-2,5-dihydropyridine-3-carboxylic acid is CC1C=NCC(C(=O)O)=C1.
What is the InChIKey of 5-methyl-2,5-dihydropyridine-3-carboxylic acid?
The InChIKey is ZNHWQUFBIZLHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-3,5H,4H2,1H3,(H,9,10).
What are the key properties of 5-methyl-2,5-dihydropyridine-3-carboxylic acid?
5-methyl-2,5-dihydropyridine-3-carboxylic acid has a molecular weight of 139.15 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,5-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 90725920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).