5-bromo-4-chloro-3-iodo-8-methylquinoline

C10H6BrClIN — CID 102614183

IUPAC5-bromo-4-chloro-3-iodo-8-methylquinoline
SMILESCc1ccc(Br)c2c(Cl)c(I)cnc12
InChIInChI=1S/C10H6BrClIN/c1-5-2-3-6(11)8-9(12)7(13)4-14-10(5)8/h2-4H,1H3
InChIKeyBUGHNNMRTDIPDF-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.56
Rot. Bonds

About 5-bromo-4-chloro-3-iodo-8-methylquinoline

5-bromo-4-chloro-3-iodo-8-methylquinoline (PubChem CID 102614183) has the molecular formula C10H6BrClIN and a molecular weight of 382.43 g/mol. Its IUPAC name is 5-bromo-4-chloro-3-iodo-8-methylquinoline.

Molecular Properties

Compound Name5-bromo-4-chloro-3-iodo-8-methylquinoline
PubChem CID102614183
Molecular FormulaC10H6BrClIN
Molecular Weight382.43 g/mol
Exact Mass380.84
IUPAC Name5-bromo-4-chloro-3-iodo-8-methylquinoline
SMILESCc1ccc(Br)c2c(Cl)c(I)cnc12
InChIInChI=1S/C10H6BrClIN/c1-5-2-3-6(11)8-9(12)7(13)4-14-10(5)8/h2-4H,1H3
InChIKeyBUGHNNMRTDIPDF-UHFFFAOYSA-N
XLogP4.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3,4-dichloro-8-methylquinoline
CID 114759791
4-chloro-3-iodo-8-methoxy-5-methylquinoline
CID 102614076
5-bromo-4-chloro-8-methylquinazoline
CID 104782240
4,6-dibromo-5-chloro-8-methylquinoline
CID 164661313
3,5-dibromo-4-chloro-8-methoxyquinoline
CID 114759895
4-chloro-5-fluoro-3,8-dimethylquinoline
CID 171373227
3,4,5-tribromo-8-iodoquinoline
CID 130499412
ethyl 4-chloro-5-iodo-8-methylquinoline-3-carboxylate
CID 114257610
4,6-dibromo-3,5-dichloro-8-methylquinoline
CID 164661316
4-chloro-8-fluoro-5-iodo-3-methylquinoline
CID 171373210
8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline
CID 171373219
5,8-dibromo-4-chloro-3-nitroquinoline
CID 102614186

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-3-iodo-8-methylquinoline?
The IUPAC name of 5-bromo-4-chloro-3-iodo-8-methylquinoline (CID 102614183) is 5-bromo-4-chloro-3-iodo-8-methylquinoline.
What is the SMILES notation for 5-bromo-4-chloro-3-iodo-8-methylquinoline?
The canonical SMILES for 5-bromo-4-chloro-3-iodo-8-methylquinoline is Cc1ccc(Br)c2c(Cl)c(I)cnc12.
What is the InChIKey of 5-bromo-4-chloro-3-iodo-8-methylquinoline?
The InChIKey is BUGHNNMRTDIPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClIN/c1-5-2-3-6(11)8-9(12)7(13)4-14-10(5)8/h2-4H,1H3.
What are the key properties of 5-bromo-4-chloro-3-iodo-8-methylquinoline?
5-bromo-4-chloro-3-iodo-8-methylquinoline has a molecular weight of 382.43 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-3-iodo-8-methylquinoline is sourced from PubChem (CID 102614183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).