2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid

C15H21NO2 — CID 114280073

IUPAC2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid
SMILESCc1nc(C2CC2)c(C(=O)O)cc1CC(C)(C)C
InChIInChI=1S/C15H21NO2/c1-9-11(8-15(2,3)4)7-12(14(17)18)13(16-9)10-5-6-10/h7,10H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyOANDFXYPXFIPKF-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.55
Rot. Bonds3

About 2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid

2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid (PubChem CID 114280073) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid
PubChem CID114280073
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid
SMILESCc1nc(C2CC2)c(C(=O)O)cc1CC(C)(C)C
InChIInChI=1S/C15H21NO2/c1-9-11(8-15(2,3)4)7-12(14(17)18)13(16-9)10-5-6-10/h7,10H,5-6,8H2,1-4H3,(H,17,18)
InChIKeyOANDFXYPXFIPKF-UHFFFAOYSA-N
XLogP3.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-cyclopropyl-5-ethyl-6-methylpyridine-3-carboxylate
CID 116533608
2-cyclopropyl-7-ethyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533718
6-tert-butyl-2-(4,4-difluorocyclohexyl)-5-methylpyridine-3-carboxylic acid
CID 169248978
2-(2,2-dimethylpropyl)-4-methylbenzoic acid
CID 71272383
4-tert-butyl-3-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-5-carboxylic acid
CID 116533884
2-cyclopropyl-7,8-dimethyl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 116533753
6-cyclopropyl-5-methyl-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533494
2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid
CID 116533689
2-cyclopropyl-7,7-dimethyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxylic acid
CID 116533735
4-cyclopropyl-2-(4-ethylcyclohexyl)pyrimidine-5-carboxylic acid
CID 65390332
2-cyclopropyl-1-(2,2-dimethylbutyl)benzimidazole-5-carboxylic acid
CID 103463466
2-cyclopropyl-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid
CID 116533648

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid (CID 114280073) is 2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid is Cc1nc(C2CC2)c(C(=O)O)cc1CC(C)(C)C.
What is the InChIKey of 2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid?
The InChIKey is OANDFXYPXFIPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-9-11(8-15(2,3)4)7-12(14(17)18)13(16-9)10-5-6-10/h7,10H,5-6,8H2,1-4H3,(H,17,18).
What are the key properties of 2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid?
2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(2,2-dimethylpropyl)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 114280073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).