methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate

C15H15NO3 — CID 145241727

IUPACmethyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)ccc1OCc1ccccc1
InChIInChI=1S/C15H15NO3/c1-11-8-9-13(14(16-11)15(17)18-2)19-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeySNHZYRTUDBVJJB-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.76
Rot. Bonds4

About methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate

methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate (PubChem CID 145241727) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
PubChem CID145241727
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(C)ccc1OCc1ccccc1
InChIInChI=1S/C15H15NO3/c1-11-8-9-13(14(16-11)15(17)18-2)19-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3
InChIKeySNHZYRTUDBVJJB-UHFFFAOYSA-N
XLogP2.76
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-(6-methyl-3-phenylmethoxy-2-pyridinyl)methanone
CID 161157461
methyl 6-(4-hydroxybut-1-ynyl)-3-phenylmethoxypyridine-2-carboxylate
CID 162785880
6-methyl-3-(phenylmethoxymethoxy)pyridine-2-carboxylic acid
CID 102939706
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
3-methoxycarbonyl-4-phenylmethoxypyrazole-1-carboxylic acid
CID 91402164
methyl 6-methyl-3-[2-(trifluoromethoxy)ethoxy]pyridine-2-carboxylate
CID 172732856
6-acetamido-3-phenylmethoxypyridine-2-carboxylic acid
CID 15239997
(6-methyl-3-phenylmethoxy-2-pyridinyl)methanamine
CID 58869463
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
methyl 1-oxido-3-phenylmethoxypyridin-1-ium-2-carboxylate
CID 15239991
methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate
CID 59152590
3-[(3-bromo-4-methoxyphenyl)methoxy]-6-methylpyridine-2-carboxylic acid
CID 79156646

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate?
The IUPAC name of methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate (CID 145241727) is methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate?
The canonical SMILES for methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate is COC(=O)c1nc(C)ccc1OCc1ccccc1.
What is the InChIKey of methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate?
The InChIKey is SNHZYRTUDBVJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11-8-9-13(14(16-11)15(17)18-2)19-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3.
What are the key properties of methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate?
methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-3-phenylmethoxypyridine-2-carboxylate is sourced from PubChem (CID 145241727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).