6,8-dibromo-2-chloro-3-(chloromethyl)quinoline

C10H5Br2Cl2N — CID 63530380

IUPAC6,8-dibromo-2-chloro-3-(chloromethyl)quinoline
SMILESClCc1cc2cc(Br)cc(Br)c2nc1Cl
InChIInChI=1S/C10H5Br2Cl2N/c11-7-2-5-1-6(4-13)10(14)15-9(5)8(12)3-7/h1-3H,4H2
InChIKeyUHSPLKZJQKDGFA-UHFFFAOYSA-N
MW369.87 g/mol
LogP5.15
Rot. Bonds1

About 6,8-dibromo-2-chloro-3-(chloromethyl)quinoline

6,8-dibromo-2-chloro-3-(chloromethyl)quinoline (PubChem CID 63530380) has the molecular formula C10H5Br2Cl2N and a molecular weight of 369.87 g/mol. Its IUPAC name is 6,8-dibromo-2-chloro-3-(chloromethyl)quinoline.

Molecular Properties

Compound Name6,8-dibromo-2-chloro-3-(chloromethyl)quinoline
PubChem CID63530380
Molecular FormulaC10H5Br2Cl2N
Molecular Weight369.87 g/mol
Exact Mass366.82
IUPAC Name6,8-dibromo-2-chloro-3-(chloromethyl)quinoline
SMILESClCc1cc2cc(Br)cc(Br)c2nc1Cl
InChIInChI=1S/C10H5Br2Cl2N/c11-7-2-5-1-6(4-13)10(14)15-9(5)8(12)3-7/h1-3H,4H2
InChIKeyUHSPLKZJQKDGFA-UHFFFAOYSA-N
XLogP5.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.87
LogP ≤ 55.15
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

8-bromo-2-chloro-3-ethyl-6-fluoroquinoline
CID 63231922
5-bromo-2-chloro-3-(chloromethyl)-8-methylquinoline
CID 63231622
2,7,8-trichloro-3-(chloromethyl)quinoline
CID 63231882
5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline
CID 107594160
5-bromo-2-chloro-3-(chloromethyl)pyridine
CID 42544310
2,8-dichloro-3-(chloromethyl)-6-nitroquinoline
CID 63232149
3,6,8-tribromoquinoline
CID 91172401
4,6-dibromo-2-(chloromethyl)-1H-benzimidazole
CID 11174733
2-bromo-6-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119016714
3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine
CID 130139788
2-(8-bromo-2-chloroquinolin-3-yl)acetic acid
CID 84644580
2-chloro-3-(chloromethyl)-7,8,9,10-tetrahydrobenzo[h]quinoline
CID 63231750

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-2-chloro-3-(chloromethyl)quinoline?
The IUPAC name of 6,8-dibromo-2-chloro-3-(chloromethyl)quinoline (CID 63530380) is 6,8-dibromo-2-chloro-3-(chloromethyl)quinoline.
What is the SMILES notation for 6,8-dibromo-2-chloro-3-(chloromethyl)quinoline?
The canonical SMILES for 6,8-dibromo-2-chloro-3-(chloromethyl)quinoline is ClCc1cc2cc(Br)cc(Br)c2nc1Cl.
What is the InChIKey of 6,8-dibromo-2-chloro-3-(chloromethyl)quinoline?
The InChIKey is UHSPLKZJQKDGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2Cl2N/c11-7-2-5-1-6(4-13)10(14)15-9(5)8(12)3-7/h1-3H,4H2.
What are the key properties of 6,8-dibromo-2-chloro-3-(chloromethyl)quinoline?
6,8-dibromo-2-chloro-3-(chloromethyl)quinoline has a molecular weight of 369.87 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-2-chloro-3-(chloromethyl)quinoline is sourced from PubChem (CID 63530380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).