(2,4-dimethylphenyl) pyridine-4-carboxylate

C14H13NO2 — CID 836824

IUPAC(2,4-dimethylphenyl) pyridine-4-carboxylate
SMILESCc1ccc(OC(=O)c2ccncc2)c(C)c1
InChIInChI=1S/C14H13NO2/c1-10-3-4-13(11(2)9-10)17-14(16)12-5-7-15-8-6-12/h3-9H,1-2H3
InChIKeyAFCCLBUREOJUEH-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.92
Rot. Bonds2

About (2,4-dimethylphenyl) pyridine-4-carboxylate

(2,4-dimethylphenyl) pyridine-4-carboxylate (PubChem CID 836824) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2,4-dimethylphenyl) pyridine-4-carboxylate.

Molecular Properties

Compound Name(2,4-dimethylphenyl) pyridine-4-carboxylate
PubChem CID836824
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(2,4-dimethylphenyl) pyridine-4-carboxylate
SMILESCc1ccc(OC(=O)c2ccncc2)c(C)c1
InChIInChI=1S/C14H13NO2/c1-10-3-4-13(11(2)9-10)17-14(16)12-5-7-15-8-6-12/h3-9H,1-2H3
InChIKeyAFCCLBUREOJUEH-UHFFFAOYSA-N
XLogP2.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(2,4-dimethylphenoxy)carbonylphenyl] 4-methoxybenzoate;sulfane
CID 144914302
[2-(benzotriazol-2-yl)-4-methylphenyl] pyridine-4-carboxylate
CID 872291
(2,4-dimethylphenyl) 4-(pyrazol-1-ylmethyl)benzoate
CID 30002423
pyridin-4-yl 4-methylbenzoate
CID 12624128
(2,4-dimethylphenyl) thiophene-2-carboxylate
CID 13404169
bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
CID 121297333
[4-(4-hydroxybenzoyl)oxy-2-methylphenyl] 4-methylbenzoate
CID 54342277
[4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate
CID 58960600
(2,4-dimethylphenyl) 3-(methoxymethyl)benzoate
CID 55383167
(2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate
CID 174954354
(2,4-dimethylphenyl) 4-(prop-2-enoyloxymethoxy)benzoate
CID 126651896
(2,5-dimethylphenyl) 4-fluorobenzoate
CID 837736

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl) pyridine-4-carboxylate?
The IUPAC name of (2,4-dimethylphenyl) pyridine-4-carboxylate (CID 836824) is (2,4-dimethylphenyl) pyridine-4-carboxylate.
What is the SMILES notation for (2,4-dimethylphenyl) pyridine-4-carboxylate?
The canonical SMILES for (2,4-dimethylphenyl) pyridine-4-carboxylate is Cc1ccc(OC(=O)c2ccncc2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl) pyridine-4-carboxylate?
The InChIKey is AFCCLBUREOJUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-3-4-13(11(2)9-10)17-14(16)12-5-7-15-8-6-12/h3-9H,1-2H3.
What are the key properties of (2,4-dimethylphenyl) pyridine-4-carboxylate?
(2,4-dimethylphenyl) pyridine-4-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl) pyridine-4-carboxylate is sourced from PubChem (CID 836824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).