[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate

C22H19ClN2O7 — CID 20998275

IUPAC[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
SMILESCOc1ccc(-c2c/c(=[NH+]\Cc3cccnc3)c3cc(O)ccc3o2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C22H18N2O3.ClHO4/c1-26-18-7-4-16(5-8-18)22-12-20(24-14-15-3-2-10-23-13-15)19-11-17(25)6-9-21(19)27-22;2-1(3,4)5/h2-13,25H,14H2,1H3;(H,2,3,4,5)/b24-20+;
InChIKeyLYTZOZWGVNLBPN-UUTNPJQJSA-N
MW458.85 g/mol
LogP-2.37
Rot. Bonds4

About [6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate

[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate (PubChem CID 20998275) has the molecular formula C22H19ClN2O7 and a molecular weight of 458.85 g/mol. Its IUPAC name is [6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate.

Molecular Properties

Compound Name[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
PubChem CID20998275
Molecular FormulaC22H19ClN2O7
Molecular Weight458.85 g/mol
Exact Mass458.09
IUPAC Name[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
SMILESCOc1ccc(-c2c/c(=[NH+]\Cc3cccnc3)c3cc(O)ccc3o2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C22H18N2O3.ClHO4/c1-26-18-7-4-16(5-8-18)22-12-20(24-14-15-3-2-10-23-13-15)19-11-17(25)6-9-21(19)27-22;2-1(3,4)5/h2-13,25H,14H2,1H3;(H,2,3,4,5)/b24-20+;
InChIKeyLYTZOZWGVNLBPN-UUTNPJQJSA-N
XLogP-2.37
TPSA161.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.85
LogP ≤ 5-2.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium
CID 1193926
[6-methyl-2-(4-methylphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
CID 20998139
[2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium tetrafluoroborate
CID 23411909
[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate
CID 20998201
2-(4-methoxyphenyl)-4-morpholin-4-ium-4-ylidenechromen-6-ol perchlorate
CID 20998297
benzyl-[2-(2-chlorophenyl)-6-methoxychromen-4-ylidene]azanium perchlorate
CID 20999004
[2-(4-methoxyphenyl)-6-methylchromen-4-ylidene]-(2-phenylethyl)azanium
CID 1181688
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-(2-phenylethyl)azanium perchlorate
CID 20998969
2-(4-methoxyphenyl)-1-benzofuran-6-ol
CID 14887928
[2-(3,4-dimethoxyphenyl)-6-methoxychromen-4-ylidene]-propylazanium perchlorate
CID 20998974
(6-hydroxy-2-phenylchromen-4-ylidene)-(4-methoxycarbonylphenyl)azanium perchlorate
CID 20998329
(4-hydroxyphenyl)-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
CID 23411882

Frequently Asked Questions

What is the IUPAC name of [6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate?
The IUPAC name of [6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate (CID 20998275) is [6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate.
What is the SMILES notation for [6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate?
The canonical SMILES for [6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate is COc1ccc(-c2c/c(=[NH+]\Cc3cccnc3)c3cc(O)ccc3o2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate?
The InChIKey is LYTZOZWGVNLBPN-UUTNPJQJSA-N. The full InChI is InChI=1S/C22H18N2O3.ClHO4/c1-26-18-7-4-16(5-8-18)22-12-20(24-14-15-3-2-10-23-13-15)19-11-17(25)6-9-21(19)27-22;2-1(3,4)5/h2-13,25H,14H2,1H3;(H,2,3,4,5)/b24-20+;.
What are the key properties of [6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate?
[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate has a molecular weight of 458.85 g/mol, XLogP of -2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]-(pyridin-3-ylmethyl)azanium perchlorate is sourced from PubChem (CID 20998275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).