[5-chloro-2-(naphthalene-1-carbonyloxy)-4-pyridinyl] naphthalene-1-carboxylate

C27H16ClNO4 — CID 14049610

IUPAC[5-chloro-2-(naphthalene-1-carbonyloxy)-4-pyridinyl] naphthalene-1-carboxylate
SMILESO=C(Oc1cc(OC(=O)c2cccc3ccccc23)c(Cl)cn1)c1cccc2ccccc12
InChIInChI=1S/C27H16ClNO4/c28-23-16-29-25(33-27(31)22-14-6-10-18-8-2-4-12-20(18)22)15-24(23)32-26(30)21-13-5-9-17-7-1-3-11-19(17)21/h1-16H
InChIKeyXYWAQOVPVPAUQM-UHFFFAOYSA-N
MW453.88 g/mol
LogP6.48
Rot. Bonds4

About [5-chloro-2-(naphthalene-1-carbonyloxy)-4-pyridinyl] naphthalene-1-carboxylate

[5-chloro-2-(naphthalene-1-carbonyloxy)-4-pyridinyl] naphthalene-1-carboxylate (PubChem CID 14049610) has the molecular formula C27H16ClNO4 and a molecular weight of 453.88 g/mol. Its IUPAC name is [5-chloro-2-(naphthalene-1-carbonyloxy)-4-pyridinyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[5-chloro-2-(naphthalene-1-carbonyloxy)-4-pyridinyl] naphthalene-1-carboxylate
PubChem CID14049610
Molecular FormulaC27H16ClNO4
Molecular Weight453.88 g/mol
Exact Mass453.08
IUPAC Name[5-chloro-2-(naphthalene-1-carbonyloxy)-4-pyridinyl] naphthalene-1-carboxylate
SMILESO=C(Oc1cc(OC(=O)c2cccc3ccccc23)c(Cl)cn1)c1cccc2ccccc12
InChIInChI=1S/C27H16ClNO4/c28-23-16-29-25(33-27(31)22-14-6-10-18-8-2-4-12-20(18)22)15-24(23)32-26(30)21-13-5-9-17-7-1-3-11-19(17)21/h1-16H
InChIKeyXYWAQOVPVPAUQM-UHFFFAOYSA-N
XLogP6.48
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.88
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(naphthalene-1-carbonyloxy)benzoic acid
CID 54147008
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
naphthalene-1-carbonyl 4-fluoro-2-(naphthalene-1-carbonyloxy)naphthalene-1-carboxylate
CID 174478556
(2,3,4,5-tetrachloro-6-hydroxyphenyl) naphthalene-1-carboxylate
CID 134111711
(2-phenylphenyl) naphthalene-1-carboxylate
CID 91722072
naphthalen-1-yl 5-bromo-2-chlorobenzoate
CID 2370407
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
(8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate
CID 175286070
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
(2,4,6-tribromophenyl) naphthalene-1-carboxylate
CID 4586991
(2-methoxycarbonyl-6-propanoylphenyl) naphthalene-1-carboxylate
CID 19972770
bromo naphthalene-1-carboxylate
CID 68796403

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(naphthalene-1-carbonyloxy)-4-pyridinyl] naphthalene-1-carboxylate?
The IUPAC name of [5-chloro-2-(naphthalene-1-carbonyloxy)-4-pyridinyl] naphthalene-1-carboxylate (CID 14049610) is [5-chloro-2-(naphthalene-1-carbonyloxy)-4-pyridinyl] naphthalene-1-carboxylate.
What is the SMILES notation for [5-chloro-2-(naphthalene-1-carbonyloxy)-4-pyridinyl] naphthalene-1-carboxylate?
The canonical SMILES for [5-chloro-2-(naphthalene-1-carbonyloxy)-4-pyridinyl] naphthalene-1-carboxylate is O=C(Oc1cc(OC(=O)c2cccc3ccccc23)c(Cl)cn1)c1cccc2ccccc12.
What is the InChIKey of [5-chloro-2-(naphthalene-1-carbonyloxy)-4-pyridinyl] naphthalene-1-carboxylate?
The InChIKey is XYWAQOVPVPAUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16ClNO4/c28-23-16-29-25(33-27(31)22-14-6-10-18-8-2-4-12-20(18)22)15-24(23)32-26(30)21-13-5-9-17-7-1-3-11-19(17)21/h1-16H.
What are the key properties of [5-chloro-2-(naphthalene-1-carbonyloxy)-4-pyridinyl] naphthalene-1-carboxylate?
[5-chloro-2-(naphthalene-1-carbonyloxy)-4-pyridinyl] naphthalene-1-carboxylate has a molecular weight of 453.88 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(naphthalene-1-carbonyloxy)-4-pyridinyl] naphthalene-1-carboxylate is sourced from PubChem (CID 14049610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).