anthracene-9,10-dione;2-methylpyridine;hydrobromide

C20H16BrNO2 — CID 67625699

IUPACanthracene-9,10-dione;2-methylpyridine;hydrobromide
SMILESBr.Cc1ccccn1.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.C6H7N.BrH/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-6-4-2-3-5-7-6;/h1-8H;2-5H,1H3;1H
InChIKeyNOWSLXROXAMBSM-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.43
Rot. Bonds

About anthracene-9,10-dione;2-methylpyridine;hydrobromide

anthracene-9,10-dione;2-methylpyridine;hydrobromide (PubChem CID 67625699) has the molecular formula C20H16BrNO2 and a molecular weight of 382.26 g/mol. Its IUPAC name is anthracene-9,10-dione;2-methylpyridine;hydrobromide.

Molecular Properties

Compound Nameanthracene-9,10-dione;2-methylpyridine;hydrobromide
PubChem CID67625699
Molecular FormulaC20H16BrNO2
Molecular Weight382.26 g/mol
Exact Mass381.04
IUPAC Nameanthracene-9,10-dione;2-methylpyridine;hydrobromide
SMILESBr.Cc1ccccn1.O=C1c2ccccc2C(=O)c2ccccc21
InChIInChI=1S/C14H8O2.C6H7N.BrH/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-6-4-2-3-5-7-6;/h1-8H;2-5H,1H3;1H
InChIKeyNOWSLXROXAMBSM-UHFFFAOYSA-N
XLogP4.43
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Jwh 307
CID 16049783
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CID 196941
2-Benzoylpyridine
CID 7038
Jwh-368
CID 44418331
10,10-Bis(4-pyridinylmethyl)-9(10H)-anthracenone
CID 656732
2-(Pyridin-2-yl)-1H-indene-1,3(2H)-dione
CID 238065
(5-(4-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418355
Dmp-543
CID 9887884
Benzo(g)isoquinoline-5,10-dione
CID 100650
N'-[1-(2-pyridinyl)ethylidene]-1-naphthohydrazide
CID 9618012
(e)-2-(Pyridin-2-ylmethylene)-2,3-dihydro-1h-inden-1-one
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Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-dione;2-methylpyridine;hydrobromide?
The IUPAC name of anthracene-9,10-dione;2-methylpyridine;hydrobromide (CID 67625699) is anthracene-9,10-dione;2-methylpyridine;hydrobromide.
What is the SMILES notation for anthracene-9,10-dione;2-methylpyridine;hydrobromide?
The canonical SMILES for anthracene-9,10-dione;2-methylpyridine;hydrobromide is Br.Cc1ccccn1.O=C1c2ccccc2C(=O)c2ccccc21.
What is the InChIKey of anthracene-9,10-dione;2-methylpyridine;hydrobromide?
The InChIKey is NOWSLXROXAMBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2.C6H7N.BrH/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;1-6-4-2-3-5-7-6;/h1-8H;2-5H,1H3;1H.
What are the key properties of anthracene-9,10-dione;2-methylpyridine;hydrobromide?
anthracene-9,10-dione;2-methylpyridine;hydrobromide has a molecular weight of 382.26 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-dione;2-methylpyridine;hydrobromide is sourced from PubChem (CID 67625699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).