ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate

C16H19NO3 — CID 142291792

IUPACethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate
SMILESCC.COC(=O)c1cc(-c2ccccc2)cc(CO)n1
InChIInChI=1S/C14H13NO3.C2H6/c1-18-14(17)13-8-11(7-12(9-16)15-13)10-5-3-2-4-6-10;1-2/h2-8,16H,9H2,1H3;1-2H3
InChIKeyGLQKNBGFAUVKDO-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.05
Rot. Bonds3

About ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate

ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate (PubChem CID 142291792) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate
PubChem CID142291792
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Nameethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate
SMILESCC.COC(=O)c1cc(-c2ccccc2)cc(CO)n1
InChIInChI=1S/C14H13NO3.C2H6/c1-18-14(17)13-8-11(7-12(9-16)15-13)10-5-3-2-4-6-10;1-2/h2-8,16H,9H2,1H3;1-2H3
InChIKeyGLQKNBGFAUVKDO-UHFFFAOYSA-N
XLogP3.05
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate?
The IUPAC name of ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate (CID 142291792) is ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate.
What is the SMILES notation for ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate?
The canonical SMILES for ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate is CC.COC(=O)c1cc(-c2ccccc2)cc(CO)n1.
What is the InChIKey of ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate?
The InChIKey is GLQKNBGFAUVKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3.C2H6/c1-18-14(17)13-8-11(7-12(9-16)15-13)10-5-3-2-4-6-10;1-2/h2-8,16H,9H2,1H3;1-2H3.
What are the key properties of ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate?
ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate is sourced from PubChem (CID 142291792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).