methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate

C15H13NO3 — CID 19700964

IUPACmethyl 3-(4-methylbenzoyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1C(=O)c1ccc(C)cc1
InChIInChI=1S/C15H13NO3/c1-10-5-7-11(8-6-10)14(17)12-4-3-9-16-13(12)15(18)19-2/h3-9H,1-2H3
InChIKeyWVODJVSGUFKSLE-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.41
Rot. Bonds3

About methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate

methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate (PubChem CID 19700964) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-methylbenzoyl)pyridine-2-carboxylate
PubChem CID19700964
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namemethyl 3-(4-methylbenzoyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1C(=O)c1ccc(C)cc1
InChIInChI=1S/C15H13NO3/c1-10-5-7-11(8-6-10)14(17)12-4-3-9-16-13(12)15(18)19-2/h3-9H,1-2H3
InChIKeyWVODJVSGUFKSLE-UHFFFAOYSA-N
XLogP2.41
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(3-bromobenzoyl)pyridine-2-carboxylate
CID 19700837
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid
CID 19700797
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
methyl 2-methylpyridine-3-carboxylate
CID 7015327
2-(3-methoxycarbonyl-4-methylbenzoyl)pyridine-3-carboxylic acid
CID 19700910
methanol;methyl 2-methylpyridine-3-carboxylate
CID 174704345
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
ethane;methyl 3-aminopyridine-2-carboxylate
CID 168887245
3-(4-fluorobenzoyl)pyridine-2-carboxylic acid
CID 10014744
methyl 4-(2-methoxybenzoyl)benzoate
CID 22408243

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate (CID 19700964) is methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate is COC(=O)c1ncccc1C(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate?
The InChIKey is WVODJVSGUFKSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10-5-7-11(8-6-10)14(17)12-4-3-9-16-13(12)15(18)19-2/h3-9H,1-2H3.
What are the key properties of methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate?
methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate has a molecular weight of 255.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate is sourced from PubChem (CID 19700964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).