methyl 5-methyl-4-phenylpyridine-3-carboxylate

C14H13NO2 — CID 10878891

IUPACmethyl 5-methyl-4-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1cncc(C)c1-c1ccccc1
InChIInChI=1S/C14H13NO2/c1-10-8-15-9-12(14(16)17-2)13(10)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyYRNQOFQFIWVZLN-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.84
Rot. Bonds2

About methyl 5-methyl-4-phenylpyridine-3-carboxylate

methyl 5-methyl-4-phenylpyridine-3-carboxylate (PubChem CID 10878891) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 5-methyl-4-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-phenylpyridine-3-carboxylate
PubChem CID10878891
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Namemethyl 5-methyl-4-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1cncc(C)c1-c1ccccc1
InChIInChI=1S/C14H13NO2/c1-10-8-15-9-12(14(16)17-2)13(10)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyYRNQOFQFIWVZLN-UHFFFAOYSA-N
XLogP2.84
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methylpyridine-3-carboxylate
CID 10877301
methyl 2-amino-3-phenylpyridine-4-carboxylate
CID 133098297
methyl 6-chloro-4-phenylquinoline-3-carboxylate
CID 10447368
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 5-hydroxy-4-methylpyridine-3-carboxylate
CID 130115769
ethane;methane;methyl 2-methylbenzoate
CID 168902289
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 4-[(2-methylphenyl)methyl]pyridine-3-carboxylate
CID 54547746
4-methoxy-5-methoxycarbonylpyridine-3-carboxylic acid
CID 22019195
methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998
methyl 4-anilinopyridine-3-carboxylate
CID 119016910
methyl 2-amino-4-methyl-5-phenylbenzoate
CID 113445321

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-phenylpyridine-3-carboxylate?
The IUPAC name of methyl 5-methyl-4-phenylpyridine-3-carboxylate (CID 10878891) is methyl 5-methyl-4-phenylpyridine-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-phenylpyridine-3-carboxylate?
The canonical SMILES for methyl 5-methyl-4-phenylpyridine-3-carboxylate is COC(=O)c1cncc(C)c1-c1ccccc1.
What is the InChIKey of methyl 5-methyl-4-phenylpyridine-3-carboxylate?
The InChIKey is YRNQOFQFIWVZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-8-15-9-12(14(16)17-2)13(10)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of methyl 5-methyl-4-phenylpyridine-3-carboxylate?
methyl 5-methyl-4-phenylpyridine-3-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-phenylpyridine-3-carboxylate is sourced from PubChem (CID 10878891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).