7-bromo-5-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10-tetraene

C13H12BrFN2 — CID 18992272

IUPAC7-bromo-5-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10-tetraene
SMILESFc1cc(Br)cc2c1CN1C(=N2)C2CCC1C2
InChIInChI=1S/C13H12BrFN2/c14-8-4-11(15)10-6-17-9-2-1-7(3-9)13(17)16-12(10)5-8/h4-5,7,9H,1-3,6H2
InChIKeyKCKJHHPETJTNFY-UHFFFAOYSA-N
MW295.16 g/mol
LogP3.62
Rot. Bonds

About 7-bromo-5-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10-tetraene

7-bromo-5-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10-tetraene (PubChem CID 18992272) has the molecular formula C13H12BrFN2 and a molecular weight of 295.16 g/mol. Its IUPAC name is 7-bromo-5-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10-tetraene.

Molecular Properties

Compound Name7-bromo-5-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10-tetraene
PubChem CID18992272
Molecular FormulaC13H12BrFN2
Molecular Weight295.16 g/mol
Exact Mass294.02
IUPAC Name7-bromo-5-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10-tetraene
SMILESFc1cc(Br)cc2c1CN1C(=N2)C2CCC1C2
InChIInChI=1S/C13H12BrFN2/c14-8-4-11(15)10-6-17-9-2-1-7(3-9)13(17)16-12(10)5-8/h4-5,7,9H,1-3,6H2
InChIKeyKCKJHHPETJTNFY-UHFFFAOYSA-N
XLogP3.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10-tetraene?
The IUPAC name of 7-bromo-5-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10-tetraene (CID 18992272) is 7-bromo-5-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10-tetraene.
What is the SMILES notation for 7-bromo-5-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10-tetraene?
The canonical SMILES for 7-bromo-5-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10-tetraene is Fc1cc(Br)cc2c1CN1C(=N2)C2CCC1C2.
What is the InChIKey of 7-bromo-5-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10-tetraene?
The InChIKey is KCKJHHPETJTNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2/c14-8-4-11(15)10-6-17-9-2-1-7(3-9)13(17)16-12(10)5-8/h4-5,7,9H,1-3,6H2.
What are the key properties of 7-bromo-5-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10-tetraene?
7-bromo-5-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10-tetraene has a molecular weight of 295.16 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,10-tetraene is sourced from PubChem (CID 18992272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).