1,2-dibromophenaleno[2,3-b]pyridin-7-one

C16H7Br2NO — CID 151541746

IUPAC1,2-dibromophenaleno[2,3-b]pyridin-7-one
SMILESO=C1c2ncccc2-c2c(Br)c(Br)cc3cccc1c23
InChIInChI=1S/C16H7Br2NO/c17-11-7-8-3-1-4-10-12(8)13(14(11)18)9-5-2-6-19-15(9)16(10)20/h1-7H
InChIKeyPYPQXSQFRUDYKE-UHFFFAOYSA-N
MW389.05 g/mol
LogP4.97
Rot. Bonds

About 1,2-dibromophenaleno[2,3-b]pyridin-7-one

1,2-dibromophenaleno[2,3-b]pyridin-7-one (PubChem CID 151541746) has the molecular formula C16H7Br2NO and a molecular weight of 389.05 g/mol. Its IUPAC name is 1,2-dibromophenaleno[2,3-b]pyridin-7-one.

Molecular Properties

Compound Name1,2-dibromophenaleno[2,3-b]pyridin-7-one
PubChem CID151541746
Molecular FormulaC16H7Br2NO
Molecular Weight389.05 g/mol
Exact Mass386.89
IUPAC Name1,2-dibromophenaleno[2,3-b]pyridin-7-one
SMILESO=C1c2ncccc2-c2c(Br)c(Br)cc3cccc1c23
InChIInChI=1S/C16H7Br2NO/c17-11-7-8-3-1-4-10-12(8)13(14(11)18)9-5-2-6-19-15(9)16(10)20/h1-7H
InChIKeyPYPQXSQFRUDYKE-UHFFFAOYSA-N
XLogP4.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.05
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzoylphenaleno[2,3-b]pyridin-7-one
CID 154370739
4,7-phenanthroline-5,6-dione
CID 6764
2-bromo-1-(2-bromo-7-oxobenzo[a]phenalen-1-yl)sulfanylbenzo[b]phenalen-7-one
CID 154132506
6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
CID 15480973
2-bromo-7-oxobenzo[a]phenalene-1-carboxylic acid
CID 154092987
1-oxophenaleno[4,5-b]pyridine-2,3-dicarbonitrile
CID 71724701
naphtho[1,2-h]quinoline-11,12-dione
CID 126542594
5-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one
CID 86167510
2-(dimethylamino)naphtho[2,1-g]quinoline-7,12-dione
CID 23239458
3-(bromomethyl)pyrido[3,2-g]quinoline-5,10-dione
CID 11141199
15-benzyl-6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-8-one
CID 22646470
1,2-dichlorobenzo[b]phenalen-7-one
CID 20841807

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromophenaleno[2,3-b]pyridin-7-one?
The IUPAC name of 1,2-dibromophenaleno[2,3-b]pyridin-7-one (CID 151541746) is 1,2-dibromophenaleno[2,3-b]pyridin-7-one.
What is the SMILES notation for 1,2-dibromophenaleno[2,3-b]pyridin-7-one?
The canonical SMILES for 1,2-dibromophenaleno[2,3-b]pyridin-7-one is O=C1c2ncccc2-c2c(Br)c(Br)cc3cccc1c23.
What is the InChIKey of 1,2-dibromophenaleno[2,3-b]pyridin-7-one?
The InChIKey is PYPQXSQFRUDYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7Br2NO/c17-11-7-8-3-1-4-10-12(8)13(14(11)18)9-5-2-6-19-15(9)16(10)20/h1-7H.
What are the key properties of 1,2-dibromophenaleno[2,3-b]pyridin-7-one?
1,2-dibromophenaleno[2,3-b]pyridin-7-one has a molecular weight of 389.05 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromophenaleno[2,3-b]pyridin-7-one is sourced from PubChem (CID 151541746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).