copper;4-oxo-2-phenylchromen-3-olate;2-pyridin-2-ylpyridine;perchlorate

C25H17ClCuN2O7 — CID 139055784

IUPACcopper;4-oxo-2-phenylchromen-3-olate;2-pyridin-2-ylpyridine;perchlorate
SMILESO=c1c([O-])c(-c2ccccc2)oc2ccccc12.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C15H10O3.C10H8N2.ClHO4.Cu/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)5;/h1-9,17H;1-8H;(H,2,3,4,5);/q;;;+2/p-2
InChIKeyRKDOYFFJLYUKLW-UHFFFAOYSA-L
MW556.42 g/mol
LogP-0.08
Rot. Bonds2

About copper;4-oxo-2-phenylchromen-3-olate;2-pyridin-2-ylpyridine;perchlorate

copper;4-oxo-2-phenylchromen-3-olate;2-pyridin-2-ylpyridine;perchlorate (PubChem CID 139055784) has the molecular formula C25H17ClCuN2O7 and a molecular weight of 556.42 g/mol. Its IUPAC name is copper;4-oxo-2-phenylchromen-3-olate;2-pyridin-2-ylpyridine;perchlorate.

Molecular Properties

Compound Namecopper;4-oxo-2-phenylchromen-3-olate;2-pyridin-2-ylpyridine;perchlorate
PubChem CID139055784
Molecular FormulaC25H17ClCuN2O7
Molecular Weight556.42 g/mol
Exact Mass555.00
IUPAC Namecopper;4-oxo-2-phenylchromen-3-olate;2-pyridin-2-ylpyridine;perchlorate
SMILESO=c1c([O-])c(-c2ccccc2)oc2ccccc12.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C15H10O3.C10H8N2.ClHO4.Cu/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)5;/h1-9,17H;1-8H;(H,2,3,4,5);/q;;;+2/p-2
InChIKeyRKDOYFFJLYUKLW-UHFFFAOYSA-L
XLogP-0.08
TPSA171.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.42
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

(3E)-3-(pyridin-2-ylmethylidene)chromen-4-one
CID 1551716
1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 10314056
3-(Benzofuran-2-ylmethylene)anabaseine
CID 10338609
1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 19045287
2-Phenyl-6-[6-(2-pyridin-2-yl-piperazin-1-yl)-hexyloxy]-chromen-4-one
CID 44285300
(2Z)-2-(pyridin-2-ylmethylidene)-1-benzofuran-3-one
CID 5861061
8-(2-Phenoxyphenyl)-2-pyridin-3-ylpyrano[2,3-c]pyridin-4-one
CID 134805812
2-Benzyl-1-(pyridin-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 665430
(2Z)-2-[(4-quinolin-3-ylphenyl)methylidene]-1-benzofuran-3-one
CID 90676240
(2Z)-2-[[3-(3-quinolin-3-ylphenyl)phenyl]methylidene]-1-benzofuran-3-one
CID 90676251
(2Z)-2-(pyridin-3-ylmethylidene)-1-benzofuran-3-one
CID 5861062
(2Z)-2-(pyridin-4-ylmethylidene)-1-benzofuran-3-one
CID 5897591

Frequently Asked Questions

What is the IUPAC name of copper;4-oxo-2-phenylchromen-3-olate;2-pyridin-2-ylpyridine;perchlorate?
The IUPAC name of copper;4-oxo-2-phenylchromen-3-olate;2-pyridin-2-ylpyridine;perchlorate (CID 139055784) is copper;4-oxo-2-phenylchromen-3-olate;2-pyridin-2-ylpyridine;perchlorate.
What is the SMILES notation for copper;4-oxo-2-phenylchromen-3-olate;2-pyridin-2-ylpyridine;perchlorate?
The canonical SMILES for copper;4-oxo-2-phenylchromen-3-olate;2-pyridin-2-ylpyridine;perchlorate is O=c1c([O-])c(-c2ccccc2)oc2ccccc12.[Cu+2].[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of copper;4-oxo-2-phenylchromen-3-olate;2-pyridin-2-ylpyridine;perchlorate?
The InChIKey is RKDOYFFJLYUKLW-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H10O3.C10H8N2.ClHO4.Cu/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;1-3-7-11-9(5-1)10-6-2-4-8-12-10;2-1(3,4)5;/h1-9,17H;1-8H;(H,2,3,4,5);/q;;;+2/p-2.
What are the key properties of copper;4-oxo-2-phenylchromen-3-olate;2-pyridin-2-ylpyridine;perchlorate?
copper;4-oxo-2-phenylchromen-3-olate;2-pyridin-2-ylpyridine;perchlorate has a molecular weight of 556.42 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for copper;4-oxo-2-phenylchromen-3-olate;2-pyridin-2-ylpyridine;perchlorate is sourced from PubChem (CID 139055784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).