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

C11H8BrCl2N — CID 63231622

IUPAC5-bromo-2-chloro-3-(chloromethyl)-8-methylquinoline
SMILESCc1ccc(Br)c2cc(CCl)c(Cl)nc12
InChIInChI=1S/C11H8BrCl2N/c1-6-2-3-9(12)8-4-7(5-13)11(14)15-10(6)8/h2-4H,5H2,1H3
InChIKeyWTLPNSMNVDMGGV-UHFFFAOYSA-N
MW305.00 g/mol
LogP4.70
Rot. Bonds1

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

5-bromo-2-chloro-3-(chloromethyl)-8-methylquinoline (PubChem CID 63231622) has the molecular formula C11H8BrCl2N and a molecular weight of 305.00 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-(chloromethyl)-8-methylquinoline.

Molecular Properties

Compound Name5-bromo-2-chloro-3-(chloromethyl)-8-methylquinoline
PubChem CID63231622
Molecular FormulaC11H8BrCl2N
Molecular Weight305.00 g/mol
Exact Mass302.92
IUPAC Name5-bromo-2-chloro-3-(chloromethyl)-8-methylquinoline
SMILESCc1ccc(Br)c2cc(CCl)c(Cl)nc12
InChIInChI=1S/C11H8BrCl2N/c1-6-2-3-9(12)8-4-7(5-13)11(14)15-10(6)8/h2-4H,5H2,1H3
InChIKeyWTLPNSMNVDMGGV-UHFFFAOYSA-N
XLogP4.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.00
LogP ≤ 54.70
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-4-chloro-2-methylquinoline
CID 768483
6-Bromo-2-chloroquinoline
CID 12894086
6-Bromo-4-chloro-3-ethyl-2-methylquinoline
CID 790786
2-Chloro-6,8-dimethyl-3-ethylquinoline
CID 1454901
6-Bromo-2-chloro-4-methylquinoline
CID 4738143
8-Bromo-2-chloroquinoline
CID 10955755
3-Bromo-2-chloroquinoline
CID 11218736
2-Bromo-4-chloroquinoline
CID 11311067
5-Bromo-2-methylquinoline
CID 12231306
7-Bromo-2-methylquinoline
CID 12332896
7-Bromo-4-chloro-8-methylquinoline
CID 45599380
7-Bromo-2-chloro-3-methylquinoline
CID 17039813

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-(chloromethyl)-8-methylquinoline?
The IUPAC name of 5-bromo-2-chloro-3-(chloromethyl)-8-methylquinoline (CID 63231622) is 5-bromo-2-chloro-3-(chloromethyl)-8-methylquinoline.
What is the SMILES notation for 5-bromo-2-chloro-3-(chloromethyl)-8-methylquinoline?
The canonical SMILES for 5-bromo-2-chloro-3-(chloromethyl)-8-methylquinoline is Cc1ccc(Br)c2cc(CCl)c(Cl)nc12.
What is the InChIKey of 5-bromo-2-chloro-3-(chloromethyl)-8-methylquinoline?
The InChIKey is WTLPNSMNVDMGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N/c1-6-2-3-9(12)8-4-7(5-13)11(14)15-10(6)8/h2-4H,5H2,1H3.
What are the key properties of 5-bromo-2-chloro-3-(chloromethyl)-8-methylquinoline?
5-bromo-2-chloro-3-(chloromethyl)-8-methylquinoline has a molecular weight of 305.00 g/mol, XLogP of 4.70, 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)-8-methylquinoline is sourced from PubChem (CID 63231622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).