2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline

C10H12BrN — CID 10105092

IUPAC2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline
SMILESCc1cc2c(nc1Br)CCCC2
InChIInChI=1S/C10H12BrN/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h6H,2-5H2,1H3
InChIKeyVYNOGJDUYLENJV-UHFFFAOYSA-N
MW226.12 g/mol
LogP3.03
Rot. Bonds

About 2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline

2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline (PubChem CID 10105092) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline
PubChem CID10105092
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline
SMILESCc1cc2c(nc1Br)CCCC2
InChIInChI=1S/C10H12BrN/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h6H,2-5H2,1H3
InChIKeyVYNOGJDUYLENJV-UHFFFAOYSA-N
XLogP3.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline (CID 10105092) is 2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline is Cc1cc2c(nc1Br)CCCC2.
What is the InChIKey of 2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is VYNOGJDUYLENJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h6H,2-5H2,1H3.
What are the key properties of 2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline?
2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 226.12 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 10105092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).