5-bromoquinoline;ethane

C11H12BrN — CID 142484600

IUPAC5-bromoquinoline;ethane
SMILESBrc1cccc2ncccc12.CC
InChIInChI=1S/C9H6BrN.C2H6/c10-8-4-1-5-9-7(8)3-2-6-11-9;1-2/h1-6H;1-2H3
InChIKeyYTVZYGMTTAMOKG-UHFFFAOYSA-N
MW238.13 g/mol
LogP4.02
Rot. Bonds

About 5-bromoquinoline;ethane

5-bromoquinoline;ethane (PubChem CID 142484600) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 5-bromoquinoline;ethane.

Molecular Properties

Compound Name5-bromoquinoline;ethane
PubChem CID142484600
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name5-bromoquinoline;ethane
SMILESBrc1cccc2ncccc12.CC
InChIInChI=1S/C9H6BrN.C2H6/c10-8-4-1-5-9-7(8)3-2-6-11-9;1-2/h1-6H;1-2H3
InChIKeyYTVZYGMTTAMOKG-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;5-ethylquinoline
CID 143401043
4-[[2-bromo-6-(bromomethyl)phenoxy]methyl]quinoline
CID 79231445
5-bromo-3-(5-methylsulfanylquinolin-6-yl)quinoline
CID 142484870
[(2-bromophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105208734
ethane;N-methyl-1-quinolin-5-ylmethanamine
CID 163296401
6-bromoquinoline-5-thiol
CID 136981755
5-bromoquinoline;5-dimethylphosphorylquinoline;5-dimethylphosphoryl-1,2,3,4-tetrahydroquinoline
CID 157268291
CID 158967293
CID 158967293
5-bromoquinolin-7-ol
CID 136948962
ethane;1,5-naphthyridine;propane
CID 142434189
5-(1-iodoethyl)quinoline
CID 130224458
(1R)-1-quinolin-5-ylethanol
CID 86326294

Frequently Asked Questions

What is the IUPAC name of 5-bromoquinoline;ethane?
The IUPAC name of 5-bromoquinoline;ethane (CID 142484600) is 5-bromoquinoline;ethane.
What is the SMILES notation for 5-bromoquinoline;ethane?
The canonical SMILES for 5-bromoquinoline;ethane is Brc1cccc2ncccc12.CC.
What is the InChIKey of 5-bromoquinoline;ethane?
The InChIKey is YTVZYGMTTAMOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN.C2H6/c10-8-4-1-5-9-7(8)3-2-6-11-9;1-2/h1-6H;1-2H3.
What are the key properties of 5-bromoquinoline;ethane?
5-bromoquinoline;ethane has a molecular weight of 238.13 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromoquinoline;ethane is sourced from PubChem (CID 142484600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).