4,6,8-tribromo-3-chloroquinoline

C9H3Br3ClN — CID 114764037

IUPAC4,6,8-tribromo-3-chloroquinoline
SMILESClc1cnc2c(Br)cc(Br)cc2c1Br
InChIInChI=1S/C9H3Br3ClN/c10-4-1-5-8(12)7(13)3-14-9(5)6(11)2-4/h1-3H
InChIKeyJBEXSVHIGVDPCI-UHFFFAOYSA-N
MW400.30 g/mol
LogP5.18
Rot. Bonds

About 4,6,8-tribromo-3-chloroquinoline

4,6,8-tribromo-3-chloroquinoline (PubChem CID 114764037) has the molecular formula C9H3Br3ClN and a molecular weight of 400.30 g/mol. Its IUPAC name is 4,6,8-tribromo-3-chloroquinoline.

Molecular Properties

Compound Name4,6,8-tribromo-3-chloroquinoline
PubChem CID114764037
Molecular FormulaC9H3Br3ClN
Molecular Weight400.30 g/mol
Exact Mass396.75
IUPAC Name4,6,8-tribromo-3-chloroquinoline
SMILESClc1cnc2c(Br)cc(Br)cc2c1Br
InChIInChI=1S/C9H3Br3ClN/c10-4-1-5-8(12)7(13)3-14-9(5)6(11)2-4/h1-3H
InChIKeyJBEXSVHIGVDPCI-UHFFFAOYSA-N
XLogP5.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.30
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-dibromo-3,5-dichloro-8-methylquinoline
CID 164661316
3,6,8-tribromoquinoline
CID 91172401
3,8-dibromo-4-chloro-6-fluoroquinoline
CID 114759885
3-bromo-5,8-dichloroquinoline
CID 67706572
4-bromo-3-chloro-7-fluoro-6-methylquinoline
CID 114764153
6,8-dibromo-4-chloro-2-methylsulfanylquinazoline
CID 114692809
6,8-dibromo-4-chloro-2-cyclopropylquinoline
CID 63409162
6-bromo-4,8-dichloro-3-nitroquinoline
CID 102614066
3,5,7-tribromoquinoline
CID 171475874
6-bromo-4-chloro-8-fluoroquinoline-3-carbonitrile
CID 24689998
methyl 6,8-dibromo-4-(methylamino)quinoline-3-carboxylate
CID 102614873
6,8-dibromo-4-(ethylamino)quinoline-3-carbonitrile
CID 62188170

Frequently Asked Questions

What is the IUPAC name of 4,6,8-tribromo-3-chloroquinoline?
The IUPAC name of 4,6,8-tribromo-3-chloroquinoline (CID 114764037) is 4,6,8-tribromo-3-chloroquinoline.
What is the SMILES notation for 4,6,8-tribromo-3-chloroquinoline?
The canonical SMILES for 4,6,8-tribromo-3-chloroquinoline is Clc1cnc2c(Br)cc(Br)cc2c1Br.
What is the InChIKey of 4,6,8-tribromo-3-chloroquinoline?
The InChIKey is JBEXSVHIGVDPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Br3ClN/c10-4-1-5-8(12)7(13)3-14-9(5)6(11)2-4/h1-3H.
What are the key properties of 4,6,8-tribromo-3-chloroquinoline?
4,6,8-tribromo-3-chloroquinoline has a molecular weight of 400.30 g/mol, XLogP of 5.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-tribromo-3-chloroquinoline is sourced from PubChem (CID 114764037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).