6-bromo-2-chloro-4-methylquinoline;ethane

C12H13BrClN — CID 153393887

IUPAC6-bromo-2-chloro-4-methylquinoline;ethane
SMILESCC.Cc1cc(Cl)nc2ccc(Br)cc12
InChIInChI=1S/C10H7BrClN.C2H6/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9;1-2/h2-5H,1H3;1-2H3
InChIKeyUZBMYADBCUEIDI-UHFFFAOYSA-N
MW286.60 g/mol
LogP4.99
Rot. Bonds

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

6-bromo-2-chloro-4-methylquinoline;ethane (PubChem CID 153393887) has the molecular formula C12H13BrClN and a molecular weight of 286.60 g/mol. Its IUPAC name is 6-bromo-2-chloro-4-methylquinoline;ethane.

Molecular Properties

Compound Name6-bromo-2-chloro-4-methylquinoline;ethane
PubChem CID153393887
Molecular FormulaC12H13BrClN
Molecular Weight286.60 g/mol
Exact Mass284.99
IUPAC Name6-bromo-2-chloro-4-methylquinoline;ethane
SMILESCC.Cc1cc(Cl)nc2ccc(Br)cc12
InChIInChI=1S/C10H7BrClN.C2H6/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9;1-2/h2-5H,1H3;1-2H3
InChIKeyUZBMYADBCUEIDI-UHFFFAOYSA-N
XLogP4.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.60
LogP ≤ 54.99
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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Related Compounds

7-bromo-2-chloro-4-methylquinoline
CID 14570303
6-bromo-2-chloro-4-methylquinoline;6-bromo-4-methyl-1H-quinolin-2-one
CID 87438206
(6-bromo-4-methylquinolin-2-yl)methanamine
CID 83527571
(6-bromo-4-methylquinolin-2-yl)methanol
CID 69058045
6-bromo-2-chloro-4-(difluoromethyl)quinoline
CID 112757570
6-bromo-4-chloroquinolin-2-amine
CID 154853425
2-chloro-4-methyl-6-phenylmethoxyquinoline
CID 82580959
7-bromo-2-chloro-4-methoxyquinoline
CID 86036464
6-bromo-2-chloro-4-propan-2-ylquinoline-3-carbaldehyde
CID 84645447
6-bromo-2-chloro-N-propan-2-ylquinazolin-4-amine
CID 114692800
2-chloro-N,N,4-trimethylquinolin-7-amine
CID 14579996
6-bromo-3,4-diethyl-2-methylquinoline
CID 125452623

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-4-methylquinoline;ethane?
The IUPAC name of 6-bromo-2-chloro-4-methylquinoline;ethane (CID 153393887) is 6-bromo-2-chloro-4-methylquinoline;ethane.
What is the SMILES notation for 6-bromo-2-chloro-4-methylquinoline;ethane?
The canonical SMILES for 6-bromo-2-chloro-4-methylquinoline;ethane is CC.Cc1cc(Cl)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-chloro-4-methylquinoline;ethane?
The InChIKey is UZBMYADBCUEIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN.C2H6/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9;1-2/h2-5H,1H3;1-2H3.
What are the key properties of 6-bromo-2-chloro-4-methylquinoline;ethane?
6-bromo-2-chloro-4-methylquinoline;ethane has a molecular weight of 286.60 g/mol, XLogP of 4.99, 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;ethane is sourced from PubChem (CID 153393887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).