benzhydryl pyridine-4-carboxylate

C19H15NO2 — CID 891439

IUPACbenzhydryl pyridine-4-carboxylate
SMILESO=C(OC(c1ccccc1)c1ccccc1)c1ccncc1
InChIInChI=1S/C19H15NO2/c21-19(17-11-13-20-14-12-17)22-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,18H
InChIKeySAXAFJGSEQQQGJ-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.03
Rot. Bonds4

About benzhydryl pyridine-4-carboxylate

benzhydryl pyridine-4-carboxylate (PubChem CID 891439) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is benzhydryl pyridine-4-carboxylate.

Molecular Properties

Compound Namebenzhydryl pyridine-4-carboxylate
PubChem CID891439
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Namebenzhydryl pyridine-4-carboxylate
SMILESO=C(OC(c1ccccc1)c1ccccc1)c1ccncc1
InChIInChI=1S/C19H15NO2/c21-19(17-11-13-20-14-12-17)22-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,18H
InChIKeySAXAFJGSEQQQGJ-UHFFFAOYSA-N
XLogP4.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[phenyl(pyridin-4-yl)methyl] thiophene-3-carboxylate
CID 86863212
benzhydryl 4-(trifluoromethyl)benzoate
CID 132819939
[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7696216
benzhydryl 3,5-diaminobenzoate
CID 102404480
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7478175
[phenyl(pyridin-4-yl)methyl] 1,5-dimethylpyrazole-4-carboxylate
CID 51097573
[2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 2935392
[phenyl(pyridin-4-yl)methyl] 2-methylcyclopropane-1-carboxylate
CID 75405434
[phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate
CID 86863186
[hydroxy(phenyl)methyl] benzoate
CID 22715526
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2626159
benzhydryl 4-[(carbamoylamino)methyl]benzoate
CID 51151702

Frequently Asked Questions

What is the IUPAC name of benzhydryl pyridine-4-carboxylate?
The IUPAC name of benzhydryl pyridine-4-carboxylate (CID 891439) is benzhydryl pyridine-4-carboxylate.
What is the SMILES notation for benzhydryl pyridine-4-carboxylate?
The canonical SMILES for benzhydryl pyridine-4-carboxylate is O=C(OC(c1ccccc1)c1ccccc1)c1ccncc1.
What is the InChIKey of benzhydryl pyridine-4-carboxylate?
The InChIKey is SAXAFJGSEQQQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2/c21-19(17-11-13-20-14-12-17)22-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,18H.
What are the key properties of benzhydryl pyridine-4-carboxylate?
benzhydryl pyridine-4-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl pyridine-4-carboxylate is sourced from PubChem (CID 891439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).