4,5,8-tribromoquinoline

C9H4Br3N — CID 114764035

IUPAC4,5,8-tribromoquinoline
SMILESBrc1ccc(Br)c2c(Br)ccnc12
InChIInChI=1S/C9H4Br3N/c10-5-1-2-7(12)9-8(5)6(11)3-4-13-9/h1-4H
InChIKeyXMZOOPARDSBQQR-UHFFFAOYSA-N
MW365.85 g/mol
LogP4.52
Rot. Bonds

About 4,5,8-tribromoquinoline

4,5,8-tribromoquinoline (PubChem CID 114764035) has the molecular formula C9H4Br3N and a molecular weight of 365.85 g/mol. Its IUPAC name is 4,5,8-tribromoquinoline.

Molecular Properties

Compound Name4,5,8-tribromoquinoline
PubChem CID114764035
Molecular FormulaC9H4Br3N
Molecular Weight365.85 g/mol
Exact Mass362.79
IUPAC Name4,5,8-tribromoquinoline
SMILESBrc1ccc(Br)c2c(Br)ccnc12
InChIInChI=1S/C9H4Br3N/c10-5-1-2-7(12)9-8(5)6(11)3-4-13-9/h1-4H
InChIKeyXMZOOPARDSBQQR-UHFFFAOYSA-N
XLogP4.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.85
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,8-dibromo-5-fluoroquinoline
CID 107627841
5-bromo-4,8-dichloroquinoline
CID 62908568
(5-bromo-8-chloroquinolin-4-yl)hydrazine
CID 62910283
7-bromo-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-3-one
CID 163258636
8-bromopyrido[3,2-d]pyrimidin-4-amine
CID 172552100
4,6-dibromo-5-chloro-8-methylquinoline
CID 164661313
4-bromo-7,8-dichloroquinoline
CID 39346133
8-bromo-5-methyl-N-propylquinolin-4-amine
CID 82758771
4,6-dibromo-10-methylpyrido[3,2-g]quinoline
CID 102458232
4,8-dibromo-1,6-naphthyridine
CID 12520140
4-bromo-8-methyl-1,7-naphthyridine
CID 103416470
5-bromo-8-methylquinoline-4-carboxylic acid
CID 165460211

Frequently Asked Questions

What is the IUPAC name of 4,5,8-tribromoquinoline?
The IUPAC name of 4,5,8-tribromoquinoline (CID 114764035) is 4,5,8-tribromoquinoline.
What is the SMILES notation for 4,5,8-tribromoquinoline?
The canonical SMILES for 4,5,8-tribromoquinoline is Brc1ccc(Br)c2c(Br)ccnc12.
What is the InChIKey of 4,5,8-tribromoquinoline?
The InChIKey is XMZOOPARDSBQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Br3N/c10-5-1-2-7(12)9-8(5)6(11)3-4-13-9/h1-4H.
What are the key properties of 4,5,8-tribromoquinoline?
4,5,8-tribromoquinoline has a molecular weight of 365.85 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,8-tribromoquinoline is sourced from PubChem (CID 114764035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).