6-bromo-3-(difluoromethyl)-8-methoxycinnoline

C10H7BrF2N2O — CID 170901824

IUPAC6-bromo-3-(difluoromethyl)-8-methoxycinnoline
SMILESCOc1cc(Br)cc2cc(C(F)F)nnc12
InChIInChI=1S/C10H7BrF2N2O/c1-16-8-4-6(11)2-5-3-7(10(12)13)14-15-9(5)8/h2-4,10H,1H3
InChIKeySSNPSNUMBLEFQG-UHFFFAOYSA-N
MW289.08 g/mol
LogP3.34
Rot. Bonds2

About 6-bromo-3-(difluoromethyl)-8-methoxycinnoline

6-bromo-3-(difluoromethyl)-8-methoxycinnoline (PubChem CID 170901824) has the molecular formula C10H7BrF2N2O and a molecular weight of 289.08 g/mol. Its IUPAC name is 6-bromo-3-(difluoromethyl)-8-methoxycinnoline.

Molecular Properties

Compound Name6-bromo-3-(difluoromethyl)-8-methoxycinnoline
PubChem CID170901824
Molecular FormulaC10H7BrF2N2O
Molecular Weight289.08 g/mol
Exact Mass287.97
IUPAC Name6-bromo-3-(difluoromethyl)-8-methoxycinnoline
SMILESCOc1cc(Br)cc2cc(C(F)F)nnc12
InChIInChI=1S/C10H7BrF2N2O/c1-16-8-4-6(11)2-5-3-7(10(12)13)14-15-9(5)8/h2-4,10H,1H3
InChIKeySSNPSNUMBLEFQG-UHFFFAOYSA-N
XLogP3.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-bromo-3-(difluoromethyl)-8-methoxycinnoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-4-methoxy-1,3-benzothiazole
CID 130937417
[5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine
CID 62891261
6-bromo-3-(difluoromethyl)-4-methoxypyridin-2-amine
CID 118998784
(6-bromo-8-methoxyquinazolin-2-yl)methanol
CID 156873044
2-bromo-6-(difluoromethyl)-5-fluoro-3-methoxypyridine
CID 119009048
5-bromo-7-methoxy-1,2-benzoxazole
CID 83669479
1-bromo-8-(difluoromethoxy)-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 59321269
6-bromo-8-methoxy-4-methylquinazolin-2-amine
CID 135197532
5-bromo-2-(difluoromethyl)-3-methoxy-6-methylpyridine
CID 130068654
6-(difluoromethyl)-4-methoxy-3-methylpyridin-2-amine
CID 119005305
5-bromo-7-methoxy-1H-indazole
CID 83669485
6-(difluoromethyl)-4-methoxy-2-methylpyridin-3-amine
CID 130105843

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(difluoromethyl)-8-methoxycinnoline?
The IUPAC name of 6-bromo-3-(difluoromethyl)-8-methoxycinnoline (CID 170901824) is 6-bromo-3-(difluoromethyl)-8-methoxycinnoline.
What is the SMILES notation for 6-bromo-3-(difluoromethyl)-8-methoxycinnoline?
The canonical SMILES for 6-bromo-3-(difluoromethyl)-8-methoxycinnoline is COc1cc(Br)cc2cc(C(F)F)nnc12.
What is the InChIKey of 6-bromo-3-(difluoromethyl)-8-methoxycinnoline?
The InChIKey is SSNPSNUMBLEFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2O/c1-16-8-4-6(11)2-5-3-7(10(12)13)14-15-9(5)8/h2-4,10H,1H3.
What are the key properties of 6-bromo-3-(difluoromethyl)-8-methoxycinnoline?
6-bromo-3-(difluoromethyl)-8-methoxycinnoline has a molecular weight of 289.08 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(difluoromethyl)-8-methoxycinnoline is sourced from PubChem (CID 170901824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).