methyl 4-(2-methyl-4-pyridin-3-ylphenyl)benzoate

C20H17NO2 — CID 44533186

IUPACmethyl 4-(2-methyl-4-pyridin-3-ylphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(-c3cccnc3)cc2C)cc1
InChIInChI=1S/C20H17NO2/c1-14-12-17(18-4-3-11-21-13-18)9-10-19(14)15-5-7-16(8-6-15)20(22)23-2/h3-13H,1-2H3
InChIKeyPAQPGCQYJAMSBX-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.51
Rot. Bonds3

About methyl 4-(2-methyl-4-pyridin-3-ylphenyl)benzoate

methyl 4-(2-methyl-4-pyridin-3-ylphenyl)benzoate (PubChem CID 44533186) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is methyl 4-(2-methyl-4-pyridin-3-ylphenyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-methyl-4-pyridin-3-ylphenyl)benzoate
PubChem CID44533186
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Namemethyl 4-(2-methyl-4-pyridin-3-ylphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2ccc(-c3cccnc3)cc2C)cc1
InChIInChI=1S/C20H17NO2/c1-14-12-17(18-4-3-11-21-13-18)9-10-19(14)15-5-7-16(8-6-15)20(22)23-2/h3-13H,1-2H3
InChIKeyPAQPGCQYJAMSBX-UHFFFAOYSA-N
XLogP4.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(Pyridin-3-yl)benzoic acid
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3-(Pyridin-3-yl)benzoic acid
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Sovesudil
CID 68245749
4-Pyridin-3-yl-benzoic acid
CID 1515244
Methyl isoquinoline-5-carboxylate
CID 313259
Methyl 3-isoquinolinecarboxylate
CID 725374
Methyl 6-pyridin-3-yl-2-naphthoate
CID 11594132
4-(2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]amino}ethyl)-3-isobutyl-4-biphenylcarboxylic acid
CID 11235459
Ethyl 3-[2-(aminomethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoate
CID 71115401
Methyl 4-[[3-[2-(aminomethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]phenyl]carbamoyl]benzoate
CID 71282961
(E)-1-(6-Methoxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 13615899

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methyl-4-pyridin-3-ylphenyl)benzoate?
The IUPAC name of methyl 4-(2-methyl-4-pyridin-3-ylphenyl)benzoate (CID 44533186) is methyl 4-(2-methyl-4-pyridin-3-ylphenyl)benzoate.
What is the SMILES notation for methyl 4-(2-methyl-4-pyridin-3-ylphenyl)benzoate?
The canonical SMILES for methyl 4-(2-methyl-4-pyridin-3-ylphenyl)benzoate is COC(=O)c1ccc(-c2ccc(-c3cccnc3)cc2C)cc1.
What is the InChIKey of methyl 4-(2-methyl-4-pyridin-3-ylphenyl)benzoate?
The InChIKey is PAQPGCQYJAMSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-14-12-17(18-4-3-11-21-13-18)9-10-19(14)15-5-7-16(8-6-15)20(22)23-2/h3-13H,1-2H3.
What are the key properties of methyl 4-(2-methyl-4-pyridin-3-ylphenyl)benzoate?
methyl 4-(2-methyl-4-pyridin-3-ylphenyl)benzoate has a molecular weight of 303.36 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methyl-4-pyridin-3-ylphenyl)benzoate is sourced from PubChem (CID 44533186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).