1-pyridin-3-yloxyanthracene-9,10-dione

C19H11NO3 — CID 54080210

IUPAC1-pyridin-3-yloxyanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(Oc3cccnc3)cccc21
InChIInChI=1S/C19H11NO3/c21-18-13-6-1-2-7-14(13)19(22)17-15(18)8-3-9-16(17)23-12-5-4-10-20-11-12/h1-11H
InChIKeyDQEDNHGDMFLYGK-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.65
Rot. Bonds2

About 1-pyridin-3-yloxyanthracene-9,10-dione

1-pyridin-3-yloxyanthracene-9,10-dione (PubChem CID 54080210) has the molecular formula C19H11NO3 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-pyridin-3-yloxyanthracene-9,10-dione.

Molecular Properties

Compound Name1-pyridin-3-yloxyanthracene-9,10-dione
PubChem CID54080210
Molecular FormulaC19H11NO3
Molecular Weight301.30 g/mol
Exact Mass301.07
IUPAC Name1-pyridin-3-yloxyanthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c(Oc3cccnc3)cccc21
InChIInChI=1S/C19H11NO3/c21-18-13-6-1-2-7-14(13)19(22)17-15(18)8-3-9-16(17)23-12-5-4-10-20-11-12/h1-11H
InChIKeyDQEDNHGDMFLYGK-UHFFFAOYSA-N
XLogP3.65
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2,6-dipyridin-3-yloxyphenol
CID 139940524
1-trimethylsilyloxyanthracene-9,10-dione
CID 14923189
1-(8-chloronaphthalen-1-yl)oxyanthracene-9,10-dione
CID 22759192
1-amino-5-(3-methoxyphenoxy)anthracene-9,10-dione
CID 22759182
1-(2-chloro-4-methylphenoxy)anthracene-9,10-dione
CID 134117733
2-methyl-3-pyridin-3-yloxypyridine
CID 172764474
1-phenoxybenzo[b]phenalen-7-one
CID 154332188
(9,10-dioxoanthracen-1-yl) benzenesulfonate
CID 14493643
1-(2-hydroxyethoxy)anthracene-9,10-dione
CID 67340699
3-amino-4-(4-chloro-2-pyridin-3-yloxyphenyl)cyclobut-3-ene-1,2-dione
CID 142659371
N-[(2-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 43283723
potassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride
CID 174411913

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yloxyanthracene-9,10-dione?
The IUPAC name of 1-pyridin-3-yloxyanthracene-9,10-dione (CID 54080210) is 1-pyridin-3-yloxyanthracene-9,10-dione.
What is the SMILES notation for 1-pyridin-3-yloxyanthracene-9,10-dione?
The canonical SMILES for 1-pyridin-3-yloxyanthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c(Oc3cccnc3)cccc21.
What is the InChIKey of 1-pyridin-3-yloxyanthracene-9,10-dione?
The InChIKey is DQEDNHGDMFLYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO3/c21-18-13-6-1-2-7-14(13)19(22)17-15(18)8-3-9-16(17)23-12-5-4-10-20-11-12/h1-11H.
What are the key properties of 1-pyridin-3-yloxyanthracene-9,10-dione?
1-pyridin-3-yloxyanthracene-9,10-dione has a molecular weight of 301.30 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yloxyanthracene-9,10-dione is sourced from PubChem (CID 54080210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).