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

C8H11NO2 — CID 123580410

IUPAC2,6-dimethyl-2,3-dihydropyridine-5-carboxylic acid
SMILESCC1=NC(C)CC=C1C(=O)O
InChIInChI=1S/C8H11NO2/c1-5-3-4-7(8(10)11)6(2)9-5/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyGXZNOHLBDQYYLP-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.25
Rot. Bonds1

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

2,6-dimethyl-2,3-dihydropyridine-5-carboxylic acid (PubChem CID 123580410) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2,6-dimethyl-2,3-dihydropyridine-5-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-2,3-dihydropyridine-5-carboxylic acid
PubChem CID123580410
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2,6-dimethyl-2,3-dihydropyridine-5-carboxylic acid
SMILESCC1=NC(C)CC=C1C(=O)O
InChIInChI=1S/C8H11NO2/c1-5-3-4-7(8(10)11)6(2)9-5/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyGXZNOHLBDQYYLP-UHFFFAOYSA-N
XLogP1.25
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(difluoromethyl)-2-methyl-3,4-dihydro-2H-azepine-6-carboxylic acid
CID 162619623
6-Diazo-3-(dimethylamino)cyclohexa-1,4-diene-1-carboxylic acid
CID 19909418
2,6-Dimethyl-2,3-dihydropyridine-3,5-dicarboxylic acid
CID 54138683
6-Methyl-2,5-dihydropyridine-3,5-dicarboxylic acid
CID 57192241
5-methyl-2H-pyrrole-4-carboxylic acid
CID 58158813
2,5-dimethyl-2H-pyrrole-3-carboxylic acid
CID 68765559
4,6-dimethyl-3-oxo-2H-pyridine-5-carboxylic acid
CID 68798846
2,6-dimethyl-3-(oxomethylidene)-2H-pyridine-5-carboxylic acid
CID 87679941
2-Methyl-2,3-dihydropyridine-5-carboxylic acid
CID 90878652
6-methyl-2-oxo-3H-pyridine-5-carboxylic acid
CID 91210006
3-cyano-3-hydroxy-2,6-dimethyl-2H-pyridine-5-carboxylic acid
CID 117844501
6-Methyl-2,5-dihydropyridine-3-carboxylic acid
CID 123158547

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2,3-dihydropyridine-5-carboxylic acid?
The IUPAC name of 2,6-dimethyl-2,3-dihydropyridine-5-carboxylic acid (CID 123580410) is 2,6-dimethyl-2,3-dihydropyridine-5-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-2,3-dihydropyridine-5-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-2,3-dihydropyridine-5-carboxylic acid is CC1=NC(C)CC=C1C(=O)O.
What is the InChIKey of 2,6-dimethyl-2,3-dihydropyridine-5-carboxylic acid?
The InChIKey is GXZNOHLBDQYYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-3-4-7(8(10)11)6(2)9-5/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of 2,6-dimethyl-2,3-dihydropyridine-5-carboxylic acid?
2,6-dimethyl-2,3-dihydropyridine-5-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2,3-dihydropyridine-5-carboxylic acid is sourced from PubChem (CID 123580410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).