(2-phenoxycarbonylphenyl) pyridine-3-carboxylate

C19H13NO4 — CID 836329

IUPAC(2-phenoxycarbonylphenyl) pyridine-3-carboxylate
SMILESO=C(Oc1ccccc1C(=O)Oc1ccccc1)c1cccnc1
InChIInChI=1S/C19H13NO4/c21-18(14-7-6-12-20-13-14)24-17-11-5-4-10-16(17)19(22)23-15-8-2-1-3-9-15/h1-13H
InChIKeyOXWFAEKCWYMKRG-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.52
Rot. Bonds4

About (2-phenoxycarbonylphenyl) pyridine-3-carboxylate

(2-phenoxycarbonylphenyl) pyridine-3-carboxylate (PubChem CID 836329) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is (2-phenoxycarbonylphenyl) pyridine-3-carboxylate.

Molecular Properties

Compound Name(2-phenoxycarbonylphenyl) pyridine-3-carboxylate
PubChem CID836329
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name(2-phenoxycarbonylphenyl) pyridine-3-carboxylate
SMILESO=C(Oc1ccccc1C(=O)Oc1ccccc1)c1cccnc1
InChIInChI=1S/C19H13NO4/c21-18(14-7-6-12-20-13-14)24-17-11-5-4-10-16(17)19(22)23-15-8-2-1-3-9-15/h1-13H
InChIKeyOXWFAEKCWYMKRG-UHFFFAOYSA-N
XLogP3.52
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid
CID 215891
3-Pyridinecarboxylic acid, 2-phenoxy-, methyl ester
CID 215890
5H-chromeno(2,3-b)pyridin-5-one
CID 659312
Nicotinic acid, 3-methylphenyl ester
CID 532681
4-Methoxyphenyl nicotinate
CID 532682
2-Phenoxynicotinic acid
CID 123450
4-Methylphenyl pyridine-3-carboxylate
CID 735961
Phenyl 3-pyridinecarboxylate
CID 77018
3-Acetyl-2-(trifluoromethyl)-4-pyridyl benzoate
CID 723671
Phenyl 2-phenoxynicotinate
CID 2797686
2-Methylphenyl nicotinate
CID 829373
3-Bromophenyl nicotinate
CID 3238017

Frequently Asked Questions

What is the IUPAC name of (2-phenoxycarbonylphenyl) pyridine-3-carboxylate?
The IUPAC name of (2-phenoxycarbonylphenyl) pyridine-3-carboxylate (CID 836329) is (2-phenoxycarbonylphenyl) pyridine-3-carboxylate.
What is the SMILES notation for (2-phenoxycarbonylphenyl) pyridine-3-carboxylate?
The canonical SMILES for (2-phenoxycarbonylphenyl) pyridine-3-carboxylate is O=C(Oc1ccccc1C(=O)Oc1ccccc1)c1cccnc1.
What is the InChIKey of (2-phenoxycarbonylphenyl) pyridine-3-carboxylate?
The InChIKey is OXWFAEKCWYMKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c21-18(14-7-6-12-20-13-14)24-17-11-5-4-10-16(17)19(22)23-15-8-2-1-3-9-15/h1-13H.
What are the key properties of (2-phenoxycarbonylphenyl) pyridine-3-carboxylate?
(2-phenoxycarbonylphenyl) pyridine-3-carboxylate has a molecular weight of 319.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxycarbonylphenyl) pyridine-3-carboxylate is sourced from PubChem (CID 836329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).