3-(bromomethyl)-5-methylquinoline

C11H10BrN — CID 118482405

IUPAC3-(bromomethyl)-5-methylquinoline
SMILESCc1cccc2ncc(CBr)cc12
InChIInChI=1S/C11H10BrN/c1-8-3-2-4-11-10(8)5-9(6-12)7-13-11/h2-5,7H,6H2,1H3
InChIKeyWEFULTHVNRLSCH-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.44
Rot. Bonds1

About 3-(bromomethyl)-5-methylquinoline

3-(bromomethyl)-5-methylquinoline (PubChem CID 118482405) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 3-(bromomethyl)-5-methylquinoline.

Molecular Properties

Compound Name3-(bromomethyl)-5-methylquinoline
PubChem CID118482405
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name3-(bromomethyl)-5-methylquinoline
SMILESCc1cccc2ncc(CBr)cc12
InChIInChI=1S/C11H10BrN/c1-8-3-2-4-11-10(8)5-9(6-12)7-13-11/h2-5,7H,6H2,1H3
InChIKeyWEFULTHVNRLSCH-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-nitroquinoline
CID 119082281
5-(bromomethyl)-3-methyl-2-(2-methylphenoxy)pyridine
CID 107087048
3-(bromomethyl)-6-ethylquinoline
CID 95733003
3-ethylquinoline-5-carboxylic acid
CID 119085659
3-(bromomethyl)-6-propylquinoline
CID 95733005
ethane;5-fluoro-3-methylquinoline
CID 156751037
10-methylphenanthridine
CID 101052009
3-(bromomethyl)-6-propan-2-ylquinoline
CID 95733004
5-[(2,6-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 62195101
5-(bromomethyl)-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]pyridine
CID 107088846
1-methylacridine;hydrochloride
CID 175333750
1-(bromomethyl)-5-methylnaphthalene
CID 15657418

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-methylquinoline?
The IUPAC name of 3-(bromomethyl)-5-methylquinoline (CID 118482405) is 3-(bromomethyl)-5-methylquinoline.
What is the SMILES notation for 3-(bromomethyl)-5-methylquinoline?
The canonical SMILES for 3-(bromomethyl)-5-methylquinoline is Cc1cccc2ncc(CBr)cc12.
What is the InChIKey of 3-(bromomethyl)-5-methylquinoline?
The InChIKey is WEFULTHVNRLSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c1-8-3-2-4-11-10(8)5-9(6-12)7-13-11/h2-5,7H,6H2,1H3.
What are the key properties of 3-(bromomethyl)-5-methylquinoline?
3-(bromomethyl)-5-methylquinoline has a molecular weight of 236.11 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-methylquinoline is sourced from PubChem (CID 118482405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).