2,6-dibromo-3-methylquinoline

C10H7Br2N — CID 39423757

IUPAC2,6-dibromo-3-methylquinoline
SMILESCc1cc2cc(Br)ccc2nc1Br
InChIInChI=1S/C10H7Br2N/c1-6-4-7-5-8(11)2-3-9(7)13-10(6)12/h2-5H,1H3
InChIKeyHMOPPDLHKOCYIL-UHFFFAOYSA-N
MW300.98 g/mol
LogP4.07
Rot. Bonds

About 2,6-dibromo-3-methylquinoline

2,6-dibromo-3-methylquinoline (PubChem CID 39423757) has the molecular formula C10H7Br2N and a molecular weight of 300.98 g/mol. Its IUPAC name is 2,6-dibromo-3-methylquinoline.

Molecular Properties

Compound Name2,6-dibromo-3-methylquinoline
PubChem CID39423757
Molecular FormulaC10H7Br2N
Molecular Weight300.98 g/mol
Exact Mass298.89
IUPAC Name2,6-dibromo-3-methylquinoline
SMILESCc1cc2cc(Br)ccc2nc1Br
InChIInChI=1S/C10H7Br2N/c1-6-4-7-5-8(11)2-3-9(7)13-10(6)12/h2-5H,1H3
InChIKeyHMOPPDLHKOCYIL-UHFFFAOYSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.98
LogP ≤ 54.07
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 2,6-dibromo-3-methylquinoline?
The IUPAC name of 2,6-dibromo-3-methylquinoline (CID 39423757) is 2,6-dibromo-3-methylquinoline.
What is the SMILES notation for 2,6-dibromo-3-methylquinoline?
The canonical SMILES for 2,6-dibromo-3-methylquinoline is Cc1cc2cc(Br)ccc2nc1Br.
What is the InChIKey of 2,6-dibromo-3-methylquinoline?
The InChIKey is HMOPPDLHKOCYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2N/c1-6-4-7-5-8(11)2-3-9(7)13-10(6)12/h2-5H,1H3.
What are the key properties of 2,6-dibromo-3-methylquinoline?
2,6-dibromo-3-methylquinoline has a molecular weight of 300.98 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-3-methylquinoline is sourced from PubChem (CID 39423757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).