5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline

C11H7BrCl2FN — CID 107594160

IUPAC5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline
SMILESCc1cc(F)c(Br)c2cc(CCl)c(Cl)nc12
InChIInChI=1S/C11H7BrCl2FN/c1-5-2-8(15)9(12)7-3-6(4-13)11(14)16-10(5)7/h2-3H,4H2,1H3
InChIKeyMKSISUZBEHULTC-UHFFFAOYSA-N
MW322.99 g/mol
LogP4.84
Rot. Bonds1

About 5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline

5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline (PubChem CID 107594160) has the molecular formula C11H7BrCl2FN and a molecular weight of 322.99 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline.

Molecular Properties

Compound Name5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline
PubChem CID107594160
Molecular FormulaC11H7BrCl2FN
Molecular Weight322.99 g/mol
Exact Mass320.91
IUPAC Name5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline
SMILESCc1cc(F)c(Br)c2cc(CCl)c(Cl)nc12
InChIInChI=1S/C11H7BrCl2FN/c1-5-2-8(15)9(12)7-3-6(4-13)11(14)16-10(5)7/h2-3H,4H2,1H3
InChIKeyMKSISUZBEHULTC-UHFFFAOYSA-N
XLogP4.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.99
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-3-(chloromethyl)-8-methylquinoline
CID 63231622
2,5-dibromo-6-fluoro-8-methylquinoline
CID 107594212
5-bromo-6-fluoro-N,3,8-trimethylquinolin-2-amine
CID 107594176
6,8-dibromo-2-chloro-3-(chloromethyl)quinoline
CID 63530380
1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene
CID 130090932
8-bromo-2-chloro-6-fluoro-3-methylquinoline
CID 63231876
8-bromo-2-chloro-3-ethyl-6-fluoroquinoline
CID 63231922
5-bromo-2-chloro-8-fluoro-3-propylquinoline
CID 63530205
2-bromo-6-chloro-3-fluoro-5-methylpyridine
CID 130114370
2,8-dichloro-3-(chloromethyl)-5-(trifluoromethyl)quinoline
CID 63531524
2,5-dichloro-3-ethyl-8-methylquinoline
CID 39346000
5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline
CID 107593556

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline?
The IUPAC name of 5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline (CID 107594160) is 5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline.
What is the SMILES notation for 5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline?
The canonical SMILES for 5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline is Cc1cc(F)c(Br)c2cc(CCl)c(Cl)nc12.
What is the InChIKey of 5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline?
The InChIKey is MKSISUZBEHULTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2FN/c1-5-2-8(15)9(12)7-3-6(4-13)11(14)16-10(5)7/h2-3H,4H2,1H3.
What are the key properties of 5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline?
5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline has a molecular weight of 322.99 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline is sourced from PubChem (CID 107594160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).