methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate

C15H15NO3 — CID 71762856

IUPACmethyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)cc(CO)nc1C
InChIInChI=1S/C15H15NO3/c1-10-14(15(18)19-2)13(8-12(9-17)16-10)11-6-4-3-5-7-11/h3-8,17H,9H2,1-2H3
InChIKeyZBIBXYUBQLKCQL-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.34
Rot. Bonds3

About methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate

methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate (PubChem CID 71762856) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate
PubChem CID71762856
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)cc(CO)nc1C
InChIInChI=1S/C15H15NO3/c1-10-14(15(18)19-2)13(8-12(9-17)16-10)11-6-4-3-5-7-11/h3-8,17H,9H2,1-2H3
InChIKeyZBIBXYUBQLKCQL-UHFFFAOYSA-N
XLogP2.34
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate (CID 71762856) is methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate is COC(=O)c1c(-c2ccccc2)cc(CO)nc1C.
What is the InChIKey of methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate?
The InChIKey is ZBIBXYUBQLKCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-14(15(18)19-2)13(8-12(9-17)16-10)11-6-4-3-5-7-11/h3-8,17H,9H2,1-2H3.
What are the key properties of methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate?
methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate is sourced from PubChem (CID 71762856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).