6-ethyl-2,5-dimethylpyridine-3-carboxylic acid

C10H13NO2 — CID 112692937

IUPAC6-ethyl-2,5-dimethylpyridine-3-carboxylic acid
SMILESCCc1nc(C)c(C(=O)O)cc1C
InChIInChI=1S/C10H13NO2/c1-4-9-6(2)5-8(10(12)13)7(3)11-9/h5H,4H2,1-3H3,(H,12,13)
InChIKeyZUFIWXUWGFDETK-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.96
Rot. Bonds2

About 6-ethyl-2,5-dimethylpyridine-3-carboxylic acid

6-ethyl-2,5-dimethylpyridine-3-carboxylic acid (PubChem CID 112692937) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-ethyl-2,5-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-2,5-dimethylpyridine-3-carboxylic acid
PubChem CID112692937
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name6-ethyl-2,5-dimethylpyridine-3-carboxylic acid
SMILESCCc1nc(C)c(C(=O)O)cc1C
InChIInChI=1S/C10H13NO2/c1-4-9-6(2)5-8(10(12)13)7(3)11-9/h5H,4H2,1-3H3,(H,12,13)
InChIKeyZUFIWXUWGFDETK-UHFFFAOYSA-N
XLogP1.96
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-6-ethyl-5-methylpyridine-3-carboxylic acid
CID 116533822
1-[6-ethyl-5-methyl-2-(trifluoromethyl)-3-pyridinyl]-2,2,2-trifluoroethanone
CID 100915221
2,8-dimethylpyrido[3,2-g]quinoline-3,7-dicarboxylic acid
CID 2749573
5-bromo-2,6-dimethylpyridine-3-carboxylic acid
CID 130636897
3-ethyl-2,4,5-trimethylbenzoic acid
CID 175228961
ethyl 2-cyclopropyl-6-ethyl-5-methylpyridine-3-carboxylate
CID 116533542
6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid
CID 112562057
(6-ethyl-2-methoxy-5-methyl-3-pyridinyl)carbamic acid
CID 57279989
2,6-difluoro-5-methylpyridine-3-carboxylic acid
CID 21303212
5-methoxycarbonyl-2,6-dimethylpyridine-3-carboxylic acid
CID 68669960
4-carbamoyl-2-ethyl-5-hydroxy-6-methylpyridine-3-carboxylic acid
CID 45122541
4,6-diethylpyridine-2,5-dicarboxylic acid
CID 67650686

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,5-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 6-ethyl-2,5-dimethylpyridine-3-carboxylic acid (CID 112692937) is 6-ethyl-2,5-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-ethyl-2,5-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 6-ethyl-2,5-dimethylpyridine-3-carboxylic acid is CCc1nc(C)c(C(=O)O)cc1C.
What is the InChIKey of 6-ethyl-2,5-dimethylpyridine-3-carboxylic acid?
The InChIKey is ZUFIWXUWGFDETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-4-9-6(2)5-8(10(12)13)7(3)11-9/h5H,4H2,1-3H3,(H,12,13).
What are the key properties of 6-ethyl-2,5-dimethylpyridine-3-carboxylic acid?
6-ethyl-2,5-dimethylpyridine-3-carboxylic acid has a molecular weight of 179.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,5-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 112692937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).