phenyl 2-phenoxypyridine-3-carboxylate

C18H13NO3 — CID 2797686

IUPACphenyl 2-phenoxypyridine-3-carboxylate
SMILESO=C(Oc1ccccc1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C18H13NO3/c20-18(22-15-10-5-2-6-11-15)16-12-7-13-19-17(16)21-14-8-3-1-4-9-14/h1-13H
InChIKeyJTILYTDBJJWJDZ-UHFFFAOYSA-N
MW291.31 g/mol
LogP4.09
Rot. Bonds4

About phenyl 2-phenoxypyridine-3-carboxylate

phenyl 2-phenoxypyridine-3-carboxylate (PubChem CID 2797686) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is phenyl 2-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Namephenyl 2-phenoxypyridine-3-carboxylate
PubChem CID2797686
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Namephenyl 2-phenoxypyridine-3-carboxylate
SMILESO=C(Oc1ccccc1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C18H13NO3/c20-18(22-15-10-5-2-6-11-15)16-12-7-13-19-17(16)21-14-8-3-1-4-9-14/h1-13H
InChIKeyJTILYTDBJJWJDZ-UHFFFAOYSA-N
XLogP4.09
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl 2-phenoxypyridine-3-carboxylate?
The IUPAC name of phenyl 2-phenoxypyridine-3-carboxylate (CID 2797686) is phenyl 2-phenoxypyridine-3-carboxylate.
What is the SMILES notation for phenyl 2-phenoxypyridine-3-carboxylate?
The canonical SMILES for phenyl 2-phenoxypyridine-3-carboxylate is O=C(Oc1ccccc1)c1cccnc1Oc1ccccc1.
What is the InChIKey of phenyl 2-phenoxypyridine-3-carboxylate?
The InChIKey is JTILYTDBJJWJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c20-18(22-15-10-5-2-6-11-15)16-12-7-13-19-17(16)21-14-8-3-1-4-9-14/h1-13H.
What are the key properties of phenyl 2-phenoxypyridine-3-carboxylate?
phenyl 2-phenoxypyridine-3-carboxylate has a molecular weight of 291.31 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 2797686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).