[3-(pyridine-4-carbonyloxy)naphthalen-2-yl] pyridine-4-carboxylate

C22H14N2O4 — CID 132563150

IUPAC[3-(pyridine-4-carbonyloxy)naphthalen-2-yl] pyridine-4-carboxylate
SMILESO=C(Oc1cc2ccccc2cc1OC(=O)c1ccncc1)c1ccncc1
InChIInChI=1S/C22H14N2O4/c25-21(15-5-9-23-10-6-15)27-19-13-17-3-1-2-4-18(17)14-20(19)28-22(26)16-7-11-24-12-8-16/h1-14H
InChIKeyAMQJWMZDNWOPBO-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.07
Rot. Bonds4

About [3-(pyridine-4-carbonyloxy)naphthalen-2-yl] pyridine-4-carboxylate

[3-(pyridine-4-carbonyloxy)naphthalen-2-yl] pyridine-4-carboxylate (PubChem CID 132563150) has the molecular formula C22H14N2O4 and a molecular weight of 370.36 g/mol. Its IUPAC name is [3-(pyridine-4-carbonyloxy)naphthalen-2-yl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[3-(pyridine-4-carbonyloxy)naphthalen-2-yl] pyridine-4-carboxylate
PubChem CID132563150
Molecular FormulaC22H14N2O4
Molecular Weight370.36 g/mol
Exact Mass370.10
IUPAC Name[3-(pyridine-4-carbonyloxy)naphthalen-2-yl] pyridine-4-carboxylate
SMILESO=C(Oc1cc2ccccc2cc1OC(=O)c1ccncc1)c1ccncc1
InChIInChI=1S/C22H14N2O4/c25-21(15-5-9-23-10-6-15)27-19-13-17-3-1-2-4-18(17)14-20(19)28-22(26)16-7-11-24-12-8-16/h1-14H
InChIKeyAMQJWMZDNWOPBO-UHFFFAOYSA-N
XLogP4.07
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.07
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

8-methoxy-3-[(E)-3-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]prop-2-enoyl]chromen-2-one chloride
CID 71459637
ST51003480
CID 5336233
1,4-Phenylene diisonicotinate
CID 3236860
1-Naphthyl isonicotinate
CID 1202290
(2,3-dimethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-6-yl) pyridine-3-carboxylate
CID 137661696
(2-Methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate
CID 12902593
3-(4-Methoxy-1-naphthyl)-1-(4-pyridinyl)-2-propen-1-one
CID 5338374
(E)-3-[3,4-bis(phenylmethoxy)phenyl]-1-pyridin-3-ylprop-2-en-1-one
CID 6177574
(2-Methoxy-4-prop-2-enylphenyl) pyridine-4-carboxylate
CID 44452411
2-(Pyridine-4-carbonyl)-1,2-dihydrobenzo[f]chromen-3-one
CID 56666526
4-Hexylphenyl isonicotinate
CID 3430960
4-Formyl-2-methoxyphenyl 4-pyridinecarboxylate
CID 889285

Frequently Asked Questions

What is the IUPAC name of [3-(pyridine-4-carbonyloxy)naphthalen-2-yl] pyridine-4-carboxylate?
The IUPAC name of [3-(pyridine-4-carbonyloxy)naphthalen-2-yl] pyridine-4-carboxylate (CID 132563150) is [3-(pyridine-4-carbonyloxy)naphthalen-2-yl] pyridine-4-carboxylate.
What is the SMILES notation for [3-(pyridine-4-carbonyloxy)naphthalen-2-yl] pyridine-4-carboxylate?
The canonical SMILES for [3-(pyridine-4-carbonyloxy)naphthalen-2-yl] pyridine-4-carboxylate is O=C(Oc1cc2ccccc2cc1OC(=O)c1ccncc1)c1ccncc1.
What is the InChIKey of [3-(pyridine-4-carbonyloxy)naphthalen-2-yl] pyridine-4-carboxylate?
The InChIKey is AMQJWMZDNWOPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O4/c25-21(15-5-9-23-10-6-15)27-19-13-17-3-1-2-4-18(17)14-20(19)28-22(26)16-7-11-24-12-8-16/h1-14H.
What are the key properties of [3-(pyridine-4-carbonyloxy)naphthalen-2-yl] pyridine-4-carboxylate?
[3-(pyridine-4-carbonyloxy)naphthalen-2-yl] pyridine-4-carboxylate has a molecular weight of 370.36 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyridine-4-carbonyloxy)naphthalen-2-yl] pyridine-4-carboxylate is sourced from PubChem (CID 132563150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).