5-methyl-1,2-dihydropyridine-3-carboxylic acid

C7H9NO2 — CID 170963915

IUPAC5-methyl-1,2-dihydropyridine-3-carboxylic acid
SMILESCC1=CNCC(C(=O)O)=C1
InChIInChI=1S/C7H9NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-3,8H,4H2,1H3,(H,9,10)
InChIKeyVYHYCXOWZAZGMB-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.50
Rot. Bonds1

About 5-methyl-1,2-dihydropyridine-3-carboxylic acid

5-methyl-1,2-dihydropyridine-3-carboxylic acid (PubChem CID 170963915) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 5-methyl-1,2-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1,2-dihydropyridine-3-carboxylic acid
PubChem CID170963915
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name5-methyl-1,2-dihydropyridine-3-carboxylic acid
SMILESCC1=CNCC(C(=O)O)=C1
InChIInChI=1S/C7H9NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-3,8H,4H2,1H3,(H,9,10)
InChIKeyVYHYCXOWZAZGMB-UHFFFAOYSA-N
XLogP0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine
CID 118549041
5-methylcyclohepta-1,3,5-triene-1,3-dicarboxylic acid
CID 143586482
1,2-dihydropyridine-3-carboxylic acid
CID 5255123
1-[5-[2-(2-bromophenyl)ethyl]-1,2-dihydropyridin-3-yl]ethanone
CID 143311165
5-methoxycarbonyl-1,4-dihydropyridine-3-carboxylic acid
CID 23001196
1-cyclopropyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 151940722
4-methylcyclohexa-1,3-diene-1-carboxylic acid
CID 91174535
1-(methoxymethyl)-5-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 151357470
6-amino-4-methyl-1,2-dihydropyridine-3-carboxylic acid
CID 86340851
5-methylcyclohexa-1,3-diene-1,3-dicarboxylic acid
CID 149049652
7-methyl-6-oxabicyclo[3.1.1]hepta-3,5(7)-diene-1,3-dicarboxylic acid
CID 174645796
3-methylcyclopentene-1-carboxylic acid
CID 12779737

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-dihydropyridine-3-carboxylic acid?
The IUPAC name of 5-methyl-1,2-dihydropyridine-3-carboxylic acid (CID 170963915) is 5-methyl-1,2-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1,2-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1,2-dihydropyridine-3-carboxylic acid is CC1=CNCC(C(=O)O)=C1.
What is the InChIKey of 5-methyl-1,2-dihydropyridine-3-carboxylic acid?
The InChIKey is VYHYCXOWZAZGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-2-6(7(9)10)4-8-3-5/h2-3,8H,4H2,1H3,(H,9,10).
What are the key properties of 5-methyl-1,2-dihydropyridine-3-carboxylic acid?
5-methyl-1,2-dihydropyridine-3-carboxylic acid has a molecular weight of 139.15 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 170963915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).