1-(5-bromo-3-fluoro-2-pyridinyl)azepane

C11H14BrFN2 — CID 104918629

IUPAC1-(5-bromo-3-fluoro-2-pyridinyl)azepane
SMILESFc1cc(Br)cnc1N1CCCCCC1
InChIInChI=1S/C11H14BrFN2/c12-9-7-10(13)11(14-8-9)15-5-3-1-2-4-6-15/h7-8H,1-6H2
InChIKeyMYIHFCJWKYAKOY-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.36
Rot. Bonds1

About 1-(5-bromo-3-fluoro-2-pyridinyl)azepane

1-(5-bromo-3-fluoro-2-pyridinyl)azepane (PubChem CID 104918629) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2-pyridinyl)azepane.

Molecular Properties

Compound Name1-(5-bromo-3-fluoro-2-pyridinyl)azepane
PubChem CID104918629
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name1-(5-bromo-3-fluoro-2-pyridinyl)azepane
SMILESFc1cc(Br)cnc1N1CCCCCC1
InChIInChI=1S/C11H14BrFN2/c12-9-7-10(13)11(14-8-9)15-5-3-1-2-4-6-15/h7-8H,1-6H2
InChIKeyMYIHFCJWKYAKOY-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-3-fluoro-2-pyridinyl)azepane 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

5-bromo-3-fluoro-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 104923920
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol
CID 104918893
3-fluoro-2-piperidin-1-yl-5-(trifluoromethyl)pyridine
CID 59514574
4-[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 166601581
5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine
CID 104919102
1-(5-bromo-3-fluoro-2-pyridinyl)-3-methylpyrrolidin-3-ol
CID 104924643
1-(5-bromo-3-fluoro-2-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 166605221
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155974121
4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-2-one
CID 104918758
1-(5-bromo-3-fluoro-2-pyridinyl)-N-methoxyazetidin-3-imine
CID 126561906
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354030
5-bromo-2-(3-tert-butylpyrrolidin-1-yl)-3-fluoropyridine
CID 104925342

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)azepane?
The IUPAC name of 1-(5-bromo-3-fluoro-2-pyridinyl)azepane (CID 104918629) is 1-(5-bromo-3-fluoro-2-pyridinyl)azepane.
What is the SMILES notation for 1-(5-bromo-3-fluoro-2-pyridinyl)azepane?
The canonical SMILES for 1-(5-bromo-3-fluoro-2-pyridinyl)azepane is Fc1cc(Br)cnc1N1CCCCCC1.
What is the InChIKey of 1-(5-bromo-3-fluoro-2-pyridinyl)azepane?
The InChIKey is MYIHFCJWKYAKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c12-9-7-10(13)11(14-8-9)15-5-3-1-2-4-6-15/h7-8H,1-6H2.
What are the key properties of 1-(5-bromo-3-fluoro-2-pyridinyl)azepane?
1-(5-bromo-3-fluoro-2-pyridinyl)azepane has a molecular weight of 273.15 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-fluoro-2-pyridinyl)azepane is sourced from PubChem (CID 104918629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).