7-bromo-4,6-difluorocinnoline

C8H3BrF2N2 — CID 162682498

IUPAC7-bromo-4,6-difluorocinnoline
SMILESFc1cc2c(F)cnnc2cc1Br
InChIInChI=1S/C8H3BrF2N2/c9-5-2-8-4(1-6(5)10)7(11)3-12-13-8/h1-3H
InChIKeySZFLOTSHXCTZNN-UHFFFAOYSA-N
MW245.03 g/mol
LogP2.67
Rot. Bonds

About 7-bromo-4,6-difluorocinnoline

7-bromo-4,6-difluorocinnoline (PubChem CID 162682498) has the molecular formula C8H3BrF2N2 and a molecular weight of 245.03 g/mol. Its IUPAC name is 7-bromo-4,6-difluorocinnoline.

Molecular Properties

Compound Name7-bromo-4,6-difluorocinnoline
PubChem CID162682498
Molecular FormulaC8H3BrF2N2
Molecular Weight245.03 g/mol
Exact Mass243.94
IUPAC Name7-bromo-4,6-difluorocinnoline
SMILESFc1cc2c(F)cnnc2cc1Br
InChIInChI=1S/C8H3BrF2N2/c9-5-2-8-4(1-6(5)10)7(11)3-12-13-8/h1-3H
InChIKeySZFLOTSHXCTZNN-UHFFFAOYSA-N
XLogP2.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.03
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-3,6-difluoroquinoline
CID 162381108
6-bromo-5-fluoro-2,3-dimethylindazole
CID 155895487
7-bromo-2-ethyl-6-fluoro-3,4-dimethylquinoline
CID 165443851
5,7-difluoro-1-methylphthalazine
CID 177201301
4-bromo-6-methoxycinnoline
CID 53415017
7-chlorocinnolin-4-amine
CID 10511562
4-bromo-7-methoxy-6-methylcinnoline
CID 53415018
6,8-difluoro-4-methylcinnoline;ethane
CID 177201340
5-bromo-2-chloro-6-fluoro-1,3-benzoxazole
CID 115410652
5-bromo-1-cyclopentyl-6-fluorobenzotriazole
CID 70699925
5-bromo-6-fluoro-1H-indazole
CID 46863923
6-bromo-5-fluoro-1,2-dihydroindazol-3-one
CID 122617178

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4,6-difluorocinnoline?
The IUPAC name of 7-bromo-4,6-difluorocinnoline (CID 162682498) is 7-bromo-4,6-difluorocinnoline.
What is the SMILES notation for 7-bromo-4,6-difluorocinnoline?
The canonical SMILES for 7-bromo-4,6-difluorocinnoline is Fc1cc2c(F)cnnc2cc1Br.
What is the InChIKey of 7-bromo-4,6-difluorocinnoline?
The InChIKey is SZFLOTSHXCTZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF2N2/c9-5-2-8-4(1-6(5)10)7(11)3-12-13-8/h1-3H.
What are the key properties of 7-bromo-4,6-difluorocinnoline?
7-bromo-4,6-difluorocinnoline has a molecular weight of 245.03 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4,6-difluorocinnoline is sourced from PubChem (CID 162682498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).