[2-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate

C18H12N2O4 — CID 91704029

IUPAC[2-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate
SMILESO=C(Oc1ccccc1OC(=O)c1ccncc1)c1ccncc1
InChIInChI=1S/C18H12N2O4/c21-17(13-5-9-19-10-6-13)23-15-3-1-2-4-16(15)24-18(22)14-7-11-20-12-8-14/h1-12H
InChIKeyQDVMDPLHTYQYPW-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.91
Rot. Bonds4

About [2-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate

[2-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate (PubChem CID 91704029) has the molecular formula C18H12N2O4 and a molecular weight of 320.30 g/mol. Its IUPAC name is [2-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate
PubChem CID91704029
Molecular FormulaC18H12N2O4
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name[2-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate
SMILESO=C(Oc1ccccc1OC(=O)c1ccncc1)c1ccncc1
InChIInChI=1S/C18H12N2O4/c21-17(13-5-9-19-10-6-13)23-15-3-1-2-4-16(15)24-18(22)14-7-11-20-12-8-14/h1-12H
InChIKeyQDVMDPLHTYQYPW-UHFFFAOYSA-N
XLogP2.91
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Acetic acid 2-methoxy-4-[(pyridine-4-carbonyl)-hydrazonomethyl]-phenyl ester
CID 6871707
2,5-Dimethylphenyl isonicotinate
CID 821673
[4-[(E)-2-ethoxycarbonyl-3-oxobut-1-enyl]phenyl] pyridine-4-carboxylate
CID 2325697
Isonicotinic acid 4-hexyloxy-phenyl ester
CID 3119481
1,4-Phenylene diisonicotinate
CID 3236860
4-Methoxyphenyl pyridine-4-carboxylate
CID 3239757
(E)-3-(3,4-dimethoxyphenyl)-1-(4-pyridyl)prop-2-en-1-one
CID 82639722
Phenyl Isonicotinate
CID 571548
1,3-Benzodioxol-5-yl pyridine-4-carboxylate
CID 2669338
(4-Heptoxyphenyl) pyridine-4-carboxylate
CID 5205672
2,4-Dimethylphenyl isonicotinate
CID 836824
4-(Cyanomethyl)phenyl isonicotinate
CID 2727125

Frequently Asked Questions

What is the IUPAC name of [2-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate?
The IUPAC name of [2-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate (CID 91704029) is [2-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate.
What is the SMILES notation for [2-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate?
The canonical SMILES for [2-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate is O=C(Oc1ccccc1OC(=O)c1ccncc1)c1ccncc1.
What is the InChIKey of [2-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate?
The InChIKey is QDVMDPLHTYQYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4/c21-17(13-5-9-19-10-6-13)23-15-3-1-2-4-16(15)24-18(22)14-7-11-20-12-8-14/h1-12H.
What are the key properties of [2-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate?
[2-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate has a molecular weight of 320.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate is sourced from PubChem (CID 91704029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).