6-bromo-2-chloro-4-methylquinoline

C10H7BrClN — CID 4738143

IUPAC6-bromo-2-chloro-4-methylquinoline
SMILESCc1cc(Cl)nc2ccc(Br)cc12
InChIInChI=1S/C10H7BrClN/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5H,1H3
InChIKeyNPDAQPXGOAYKAV-UHFFFAOYSA-N
MW256.53 g/mol
LogP3.96
Rot. Bonds

About 6-bromo-2-chloro-4-methylquinoline

6-bromo-2-chloro-4-methylquinoline (PubChem CID 4738143) has the molecular formula C10H7BrClN and a molecular weight of 256.53 g/mol. Its IUPAC name is 6-bromo-2-chloro-4-methylquinoline.

Molecular Properties

Compound Name6-bromo-2-chloro-4-methylquinoline
PubChem CID4738143
Molecular FormulaC10H7BrClN
Molecular Weight256.53 g/mol
Exact Mass254.95
IUPAC Name6-bromo-2-chloro-4-methylquinoline
SMILESCc1cc(Cl)nc2ccc(Br)cc12
InChIInChI=1S/C10H7BrClN/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5H,1H3
InChIKeyNPDAQPXGOAYKAV-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.53
LogP ≤ 53.96
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 6-bromo-2-chloro-4-methylquinoline?
The IUPAC name of 6-bromo-2-chloro-4-methylquinoline (CID 4738143) is 6-bromo-2-chloro-4-methylquinoline.
What is the SMILES notation for 6-bromo-2-chloro-4-methylquinoline?
The canonical SMILES for 6-bromo-2-chloro-4-methylquinoline is Cc1cc(Cl)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-chloro-4-methylquinoline?
The InChIKey is NPDAQPXGOAYKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5H,1H3.
What are the key properties of 6-bromo-2-chloro-4-methylquinoline?
6-bromo-2-chloro-4-methylquinoline has a molecular weight of 256.53 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-4-methylquinoline is sourced from PubChem (CID 4738143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).