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

C7H9NO2 — CID 123158547

IUPAC6-methyl-2,5-dihydropyridine-3-carboxylic acid
SMILESCC1=NCC(C(=O)O)=CC1
InChIInChI=1S/C7H9NO2/c1-5-2-3-6(4-8-5)7(9)10/h3H,2,4H2,1H3,(H,9,10)
InChIKeyWLRRPPBYEHSSEY-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.86
Rot. Bonds1

About 6-methyl-2,5-dihydropyridine-3-carboxylic acid

6-methyl-2,5-dihydropyridine-3-carboxylic acid (PubChem CID 123158547) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 6-methyl-2,5-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2,5-dihydropyridine-3-carboxylic acid
PubChem CID123158547
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name6-methyl-2,5-dihydropyridine-3-carboxylic acid
SMILESCC1=NCC(C(=O)O)=CC1
InChIInChI=1S/C7H9NO2/c1-5-2-3-6(4-8-5)7(9)10/h3H,2,4H2,1H3,(H,9,10)
InChIKeyWLRRPPBYEHSSEY-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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Related Compounds

2,5-Dihydropyridine-3-carboxylic acid
CID 53957656
6-Chloro-2,5-dihydropyridine-3-carboxylic acid
CID 54195372
6-Methyl-2,5-dihydropyridine-3,5-dicarboxylic acid
CID 57192241
5-methyl-2H-pyrrole-3-carboxylic acid
CID 58564610
2,5-dimethyl-2H-pyrrole-3-carboxylic acid
CID 68765559
5-Methyl-2,5-dihydropyridine-3-carboxylic acid
CID 90725920
2-Methyl-2,3-dihydropyridine-5-carboxylic acid
CID 90878652
5-Bromo-6-methyl-2,5-dihydropyridine-3-carboxylic acid
CID 123278193
2,6-Dimethyl-2,3-dihydropyridine-5-carboxylic acid
CID 123580410
(E)-4-ethylimino-2-methylpent-2-enoic acid
CID 138509535
5-acetyl-2H-pyrrole-3-carboxylic acid
CID 147554535
(E)-2-methyl-4-propan-2-yliminopent-2-enoic acid
CID 144975749

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,5-dihydropyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2,5-dihydropyridine-3-carboxylic acid (CID 123158547) is 6-methyl-2,5-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2,5-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2,5-dihydropyridine-3-carboxylic acid is CC1=NCC(C(=O)O)=CC1.
What is the InChIKey of 6-methyl-2,5-dihydropyridine-3-carboxylic acid?
The InChIKey is WLRRPPBYEHSSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-2-3-6(4-8-5)7(9)10/h3H,2,4H2,1H3,(H,9,10).
What are the key properties of 6-methyl-2,5-dihydropyridine-3-carboxylic acid?
6-methyl-2,5-dihydropyridine-3-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 6-methyl-2,5-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 123158547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).