3-bromo-7,8-dihydroquinoline

C9H8BrN — CID 147259144

IUPAC3-bromo-7,8-dihydroquinoline
SMILESBrc1cnc2c(c1)C=CCC2
InChIInChI=1S/C9H8BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1,3,5-6H,2,4H2
InChIKeyCOFGHAJGTIXFQM-UHFFFAOYSA-N
MW210.07 g/mol
LogP2.80
Rot. Bonds

About 3-bromo-7,8-dihydroquinoline

3-bromo-7,8-dihydroquinoline (PubChem CID 147259144) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 3-bromo-7,8-dihydroquinoline.

Molecular Properties

Compound Name3-bromo-7,8-dihydroquinoline
PubChem CID147259144
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name3-bromo-7,8-dihydroquinoline
SMILESBrc1cnc2c(c1)C=CCC2
InChIInChI=1S/C9H8BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1,3,5-6H,2,4H2
InChIKeyCOFGHAJGTIXFQM-UHFFFAOYSA-N
XLogP2.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-8,9-dihydro-7H-pyrido[3,2-c]azepine
CID 126557350
7,8-dihydroquinazolin-3-ium
CID 173071667
6-bromo-2H-1,8-naphthyridine-1-carboxylic acid
CID 137480722
3-bromo-5,6,7,8-tetrahydroquinoline
CID 53485154
8-bromo-3,4-dihydro-[1]benzofuro[3,2-c]quinoline
CID 166798326
3-bromo-7H-cyclopenta[b]pyridine;pyridin-4-ylboronic acid;3-pyridin-4-yl-7H-cyclopenta[b]pyridine
CID 163423669
7,8-dihydrothieno[2,3-b]quinoline-2-carbonitrile
CID 177296656
3-bromo-7,8-dihydro-6H-quinolin-5-one
CID 67510937
bis(3-bromo-5,6,7,8-tetrahydro-1,6-naphthyridine);dihydrochloride
CID 154804713
6-(3-bromophenyl)-1,2-dihydronaphthalene
CID 143742430
6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 10157048
2-propan-2-yl-7,8-dihydroquinoline
CID 89161554

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7,8-dihydroquinoline?
The IUPAC name of 3-bromo-7,8-dihydroquinoline (CID 147259144) is 3-bromo-7,8-dihydroquinoline.
What is the SMILES notation for 3-bromo-7,8-dihydroquinoline?
The canonical SMILES for 3-bromo-7,8-dihydroquinoline is Brc1cnc2c(c1)C=CCC2.
What is the InChIKey of 3-bromo-7,8-dihydroquinoline?
The InChIKey is COFGHAJGTIXFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1,3,5-6H,2,4H2.
What are the key properties of 3-bromo-7,8-dihydroquinoline?
3-bromo-7,8-dihydroquinoline has a molecular weight of 210.07 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7,8-dihydroquinoline is sourced from PubChem (CID 147259144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).