propan-2-yl 2-methyl-6-pentan-3-ylpyridine-4-carboxylate

C15H23NO2 — CID 67027192

IUPACpropan-2-yl 2-methyl-6-pentan-3-ylpyridine-4-carboxylate
SMILESCCC(CC)c1cc(C(=O)OC(C)C)cc(C)n1
InChIInChI=1S/C15H23NO2/c1-6-12(7-2)14-9-13(8-11(5)16-14)15(17)18-10(3)4/h8-10,12H,6-7H2,1-5H3
InChIKeyWFFCMDGOIKCLPK-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.86
Rot. Bonds5

About propan-2-yl 2-methyl-6-pentan-3-ylpyridine-4-carboxylate

propan-2-yl 2-methyl-6-pentan-3-ylpyridine-4-carboxylate (PubChem CID 67027192) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is propan-2-yl 2-methyl-6-pentan-3-ylpyridine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-methyl-6-pentan-3-ylpyridine-4-carboxylate
PubChem CID67027192
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namepropan-2-yl 2-methyl-6-pentan-3-ylpyridine-4-carboxylate
SMILESCCC(CC)c1cc(C(=O)OC(C)C)cc(C)n1
InChIInChI=1S/C15H23NO2/c1-6-12(7-2)14-9-13(8-11(5)16-14)15(17)18-10(3)4/h8-10,12H,6-7H2,1-5H3
InChIKeyWFFCMDGOIKCLPK-UHFFFAOYSA-N
XLogP3.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-methylquinoline-6-carboxylate
CID 67977912
propan-2-yl 3,5-dichlorobenzoate
CID 60642653
2-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
CID 118854402
propan-2-yl 4-ethylbenzoate
CID 583760
propan-2-yl 4-(butan-2-ylamino)benzoate
CID 43684062
propan-2-yl 3,5-dichloro-4-ethoxybenzoate
CID 82550869
2-methyl-6-(2-methylbutylsulfanyl)pyridine-4-carboxylic acid
CID 107747359
propan-2-yl 2-methyl-1,3-benzothiazole-5-carboxylate
CID 135395328
propan-2-yl 2-methyl-4-[(2-propan-2-yloxyacetyl)amino]quinoline-6-carboxylate
CID 17016336
propan-2-yl 4-methylpyrimidine-2-carboxylate
CID 130832729
butyl 2,6-dimethylpyridine-4-carboxylate
CID 66665942
magnesium;dipropan-2-yl benzene-1,4-dicarboxylate;hydride
CID 174514429

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methyl-6-pentan-3-ylpyridine-4-carboxylate?
The IUPAC name of propan-2-yl 2-methyl-6-pentan-3-ylpyridine-4-carboxylate (CID 67027192) is propan-2-yl 2-methyl-6-pentan-3-ylpyridine-4-carboxylate.
What is the SMILES notation for propan-2-yl 2-methyl-6-pentan-3-ylpyridine-4-carboxylate?
The canonical SMILES for propan-2-yl 2-methyl-6-pentan-3-ylpyridine-4-carboxylate is CCC(CC)c1cc(C(=O)OC(C)C)cc(C)n1.
What is the InChIKey of propan-2-yl 2-methyl-6-pentan-3-ylpyridine-4-carboxylate?
The InChIKey is WFFCMDGOIKCLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-12(7-2)14-9-13(8-11(5)16-14)15(17)18-10(3)4/h8-10,12H,6-7H2,1-5H3.
What are the key properties of propan-2-yl 2-methyl-6-pentan-3-ylpyridine-4-carboxylate?
propan-2-yl 2-methyl-6-pentan-3-ylpyridine-4-carboxylate has a molecular weight of 249.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methyl-6-pentan-3-ylpyridine-4-carboxylate is sourced from PubChem (CID 67027192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).