pyridin-4-yl 4-methylbenzoate

C13H11NO2 — CID 12624128

IUPACpyridin-4-yl 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccncc2)cc1
InChIInChI=1S/C13H11NO2/c1-10-2-4-11(5-3-10)13(15)16-12-6-8-14-9-7-12/h2-9H,1H3
InChIKeyHJZURONUXKXKNX-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.61
Rot. Bonds2

About pyridin-4-yl 4-methylbenzoate

pyridin-4-yl 4-methylbenzoate (PubChem CID 12624128) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is pyridin-4-yl 4-methylbenzoate.

Molecular Properties

Compound Namepyridin-4-yl 4-methylbenzoate
PubChem CID12624128
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Namepyridin-4-yl 4-methylbenzoate
SMILESCc1ccc(C(=O)Oc2ccncc2)cc1
InChIInChI=1S/C13H11NO2/c1-10-2-4-11(5-3-10)13(15)16-12-6-8-14-9-7-12/h2-9H,1H3
InChIKeyHJZURONUXKXKNX-UHFFFAOYSA-N
XLogP2.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze pyridin-4-yl 4-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
[4-[methyl-(4-methylbenzoyl)amino]phenyl] pyridine-4-carboxylate
CID 60594547
ethane;[4-(4-methylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 91606388
pyridin-4-yl 3,4-dimethylbenzoate
CID 130399846
[4-(4-methylphenyl)phenyl] 4-[2-(4-methylphenyl)-2-oxoacetyl]benzoate
CID 162123993
[4-(4-methoxycarbonylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 59024973
methane;(4-methylphenyl) 4-chlorobenzoate
CID 158517384
[4-[2-[4-(4-methylbenzoyl)oxyphenyl]ethynyl]phenyl] 4-methylbenzoate
CID 170244704
tris(4-methylphenyl) benzene-1,3,5-tricarboxylate
CID 54080093
ethane;[4-[(4-methylphenyl)diazenyl]phenyl] 4-methylbenzoate
CID 145376493

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl 4-methylbenzoate?
The IUPAC name of pyridin-4-yl 4-methylbenzoate (CID 12624128) is pyridin-4-yl 4-methylbenzoate.
What is the SMILES notation for pyridin-4-yl 4-methylbenzoate?
The canonical SMILES for pyridin-4-yl 4-methylbenzoate is Cc1ccc(C(=O)Oc2ccncc2)cc1.
What is the InChIKey of pyridin-4-yl 4-methylbenzoate?
The InChIKey is HJZURONUXKXKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-10-2-4-11(5-3-10)13(15)16-12-6-8-14-9-7-12/h2-9H,1H3.
What are the key properties of pyridin-4-yl 4-methylbenzoate?
pyridin-4-yl 4-methylbenzoate has a molecular weight of 213.24 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl 4-methylbenzoate is sourced from PubChem (CID 12624128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).