ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate

C16H19NO2 — CID 142338592

IUPACethane;methyl 4-methyl-2-pyridin-3-ylbenzoate
SMILESCC.COC(=O)c1ccc(C)cc1-c1cccnc1
InChIInChI=1S/C14H13NO2.C2H6/c1-10-5-6-12(14(16)17-2)13(8-10)11-4-3-7-15-9-11;1-2/h3-9H,1-2H3;1-2H3
InChIKeyIEOHWLWMLOIYPL-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.87
Rot. Bonds2

About ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate

ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate (PubChem CID 142338592) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate.

Molecular Properties

Compound Nameethane;methyl 4-methyl-2-pyridin-3-ylbenzoate
PubChem CID142338592
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Nameethane;methyl 4-methyl-2-pyridin-3-ylbenzoate
SMILESCC.COC(=O)c1ccc(C)cc1-c1cccnc1
InChIInChI=1S/C14H13NO2.C2H6/c1-10-5-6-12(14(16)17-2)13(8-10)11-4-3-7-15-9-11;1-2/h3-9H,1-2H3;1-2H3
InChIKeyIEOHWLWMLOIYPL-UHFFFAOYSA-N
XLogP3.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-pyridin-3-ylpyridine-4-carboxylate
CID 46317485
methyl 4,5-difluoro-2-pyridin-3-ylbenzoate
CID 46317415
4-methoxycarbonyl-2-pyridin-3-ylbenzoate
CID 170994448
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
methyl 2-phenyl-4-(pyridin-3-ylmethoxy)benzoate
CID 10805572
methyl 5-nitro-2-pyridin-3-ylbenzoate
CID 46317465
methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate
CID 46317548
3-[3,6,8-tris(4-methylphenyl)pyren-1-yl]pyridine
CID 58924986
methyl 2-(2-acetylphenyl)-4-methylbenzoate
CID 143835405
methyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247922
methyl 3-fluoro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317589
methyl 4-methoxy-3-pyridin-3-ylbenzoate
CID 46317451

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate?
The IUPAC name of ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate (CID 142338592) is ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate.
What is the SMILES notation for ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate?
The canonical SMILES for ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate is CC.COC(=O)c1ccc(C)cc1-c1cccnc1.
What is the InChIKey of ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate?
The InChIKey is IEOHWLWMLOIYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2.C2H6/c1-10-5-6-12(14(16)17-2)13(8-10)11-4-3-7-15-9-11;1-2/h3-9H,1-2H3;1-2H3.
What are the key properties of ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate?
ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate has a molecular weight of 257.33 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 4-methyl-2-pyridin-3-ylbenzoate is sourced from PubChem (CID 142338592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).