6-bromo-2,4-dichloro-5,8-difluoroquinazoline

C8HBrCl2F2N2 — CID 176948856

IUPAC6-bromo-2,4-dichloro-5,8-difluoroquinazoline
SMILESFc1cc(Br)c(F)c2c(Cl)nc(Cl)nc12
InChIInChI=1S/C8HBrCl2F2N2/c9-2-1-3(12)6-4(5(2)13)7(10)15-8(11)14-6/h1H
InChIKeyCPICQPIQYZNFLE-UHFFFAOYSA-N
MW313.92 g/mol
LogP3.98
Rot. Bonds

About 6-bromo-2,4-dichloro-5,8-difluoroquinazoline

6-bromo-2,4-dichloro-5,8-difluoroquinazoline (PubChem CID 176948856) has the molecular formula C8HBrCl2F2N2 and a molecular weight of 313.92 g/mol. Its IUPAC name is 6-bromo-2,4-dichloro-5,8-difluoroquinazoline.

Molecular Properties

Compound Name6-bromo-2,4-dichloro-5,8-difluoroquinazoline
PubChem CID176948856
Molecular FormulaC8HBrCl2F2N2
Molecular Weight313.92 g/mol
Exact Mass311.87
IUPAC Name6-bromo-2,4-dichloro-5,8-difluoroquinazoline
SMILESFc1cc(Br)c(F)c2c(Cl)nc(Cl)nc12
InChIInChI=1S/C8HBrCl2F2N2/c9-2-1-3(12)6-4(5(2)13)7(10)15-8(11)14-6/h1H
InChIKeyCPICQPIQYZNFLE-UHFFFAOYSA-N
XLogP3.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.92
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-8-fluoro-6-iodo-5-methylquinazoline
CID 170624317
7-bromo-4-chloro-5,8-difluoro-2-methylsulfanylquinazoline
CID 169181849
(6-bromo-5,8-difluoro-2,3-dimethylquinolin-4-yl)hydrazine
CID 107616905
7-bromo-2,4-dichloro-6-fluoro-8-iodoquinazoline
CID 170926123
7-bromo-2,4,6-trichloro-8-fluoroquinazoline;ethane
CID 156797358
1-bromo-3-chloro-2,4,5-trifluorobenzene
CID 14978107
6-bromo-4-chloro-5,8-difluoro-3-nitroquinoline
CID 107615385
1,4-dibromo-3-chloro-2,5-difluorobenzene
CID 118819170
5-bromo-4,7-difluoro-2H-benzotriazole
CID 162757679
5-bromo-4-chloro-6,8-difluoro-2-(trifluoromethyl)quinoline
CID 102854746
5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline
CID 107960438
8-bromo-2-chloro-6-fluoro-3-methylquinoline
CID 63231876

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,4-dichloro-5,8-difluoroquinazoline?
The IUPAC name of 6-bromo-2,4-dichloro-5,8-difluoroquinazoline (CID 176948856) is 6-bromo-2,4-dichloro-5,8-difluoroquinazoline.
What is the SMILES notation for 6-bromo-2,4-dichloro-5,8-difluoroquinazoline?
The canonical SMILES for 6-bromo-2,4-dichloro-5,8-difluoroquinazoline is Fc1cc(Br)c(F)c2c(Cl)nc(Cl)nc12.
What is the InChIKey of 6-bromo-2,4-dichloro-5,8-difluoroquinazoline?
The InChIKey is CPICQPIQYZNFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HBrCl2F2N2/c9-2-1-3(12)6-4(5(2)13)7(10)15-8(11)14-6/h1H.
What are the key properties of 6-bromo-2,4-dichloro-5,8-difluoroquinazoline?
6-bromo-2,4-dichloro-5,8-difluoroquinazoline has a molecular weight of 313.92 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4-dichloro-5,8-difluoroquinazoline is sourced from PubChem (CID 176948856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).