8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene

C13H11BrFN3 — CID 162760408

IUPAC8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene
SMILESFc1ccc(-c2nn3c(c2Br)CCC2CC23)nc1
InChIInChI=1S/C13H11BrFN3/c14-12-10-4-1-7-5-11(7)18(10)17-13(12)9-3-2-8(15)6-16-9/h2-3,6-7,11H,1,4-5H2
InChIKeyDVLWBWZFZHNBFV-UHFFFAOYSA-N
MW308.15 g/mol
LogP3.35
Rot. Bonds1

About 8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene

8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene (PubChem CID 162760408) has the molecular formula C13H11BrFN3 and a molecular weight of 308.15 g/mol. Its IUPAC name is 8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene.

Molecular Properties

Compound Name8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene
PubChem CID162760408
Molecular FormulaC13H11BrFN3
Molecular Weight308.15 g/mol
Exact Mass307.01
IUPAC Name8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene
SMILESFc1ccc(-c2nn3c(c2Br)CCC2CC23)nc1
InChIInChI=1S/C13H11BrFN3/c14-12-10-4-1-7-5-11(7)18(10)17-13(12)9-3-2-8(15)6-16-9/h2-3,6-7,11H,1,4-5H2
InChIKeyDVLWBWZFZHNBFV-UHFFFAOYSA-N
XLogP3.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene with MolForge

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Related Compounds

8-bromo-9-(4-fluorophenyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene
CID 162760577
(2S,4R)-8-(5-fluoro-1H-pyrazolo[3,4-b]pyridin-4-yl)-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene
CID 169306104
5-bromo-4-(5-fluoro-2-pyridinyl)-2,3-diazatricyclo[5.2.1.02,6]deca-3,5-diene
CID 162760175
(6S,7R)-3-bromo-2-(5-fluoro-2-pyridinyl)-6,7-dimethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 162760080
3-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 162760631
3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760429
2-[[4-[(2R,4R)-8-(5-fluoro-2-pyridinyl)-1,9-diazatricyclo[4.3.0.02,4]nona-6,8-dien-7-yl]-6-methylpyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 162760785
7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole
CID 162760266
(7R)-3-bromo-2-(4-fluorophenyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 175714245
2-[4-bromo-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-5-fluoropyridine
CID 175920701
N-[4-[(2R,4S)-3,3-difluoro-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-dien-8-yl]-2-pyridinyl]acetamide
CID 169306056
2-[4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-5-fluoropyridine
CID 162760807

Frequently Asked Questions

What is the IUPAC name of 8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene?
The IUPAC name of 8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene (CID 162760408) is 8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene.
What is the SMILES notation for 8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene?
The canonical SMILES for 8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene is Fc1ccc(-c2nn3c(c2Br)CCC2CC23)nc1.
What is the InChIKey of 8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene?
The InChIKey is DVLWBWZFZHNBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3/c14-12-10-4-1-7-5-11(7)18(10)17-13(12)9-3-2-8(15)6-16-9/h2-3,6-7,11H,1,4-5H2.
What are the key properties of 8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene?
8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene has a molecular weight of 308.15 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-9-(5-fluoro-2-pyridinyl)-1,10-diazatricyclo[5.3.0.02,4]deca-7,9-diene is sourced from PubChem (CID 162760408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).