1-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepane

C10H11F4N3 — CID 69367062

IUPAC1-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepane
SMILESFc1nc(F)c(F)c(N2CCCNCC2)c1F
InChIInChI=1S/C10H11F4N3/c11-6-8(7(12)10(14)16-9(6)13)17-4-1-2-15-3-5-17/h15H,1-5H2
InChIKeyBXGLMNQQSGGKDI-UHFFFAOYSA-N
MW249.21 g/mol
LogP1.44
Rot. Bonds1

About 1-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepane

1-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepane (PubChem CID 69367062) has the molecular formula C10H11F4N3 and a molecular weight of 249.21 g/mol. Its IUPAC name is 1-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepane
PubChem CID69367062
Molecular FormulaC10H11F4N3
Molecular Weight249.21 g/mol
Exact Mass249.09
IUPAC Name1-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepane
SMILESFc1nc(F)c(F)c(N2CCCNCC2)c1F
InChIInChI=1S/C10H11F4N3/c11-6-8(7(12)10(14)16-9(6)13)17-4-1-2-15-3-5-17/h15H,1-5H2
InChIKeyBXGLMNQQSGGKDI-UHFFFAOYSA-N
XLogP1.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(Dimethylamino)-2,3,5,6-tetrafluoropyridine
CID 853684
N,N'-bis(2,3,5,6-tetrafluoropyridin-4-yl)propane-1,3-diamine
CID 3973534
4-Diethylamino-2,3,5,6-tetrafluoropyridine
CID 14400537
4-(t-Butylamino)-2,3,5,6-tetrafluoropyridine
CID 22121159
2,3,5,6-Tetrafluoro-4-(piperidin-1-yl)pyridin
CID 23441913
N'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine
CID 4561709
1-(3,5-Difluoropyridin-4-yl)piperazine
CID 44668350
N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine
CID 11615416
N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine
CID 132602370
N'-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]ethane-1,2-diamine
CID 21271640
N'-[(2,3,5,6-tetrafluoro-4-pyridinyl)methyl]ethane-1,2-diamine
CID 21271642
1-(2,3,5,6-Tetrafluoro-4-pyridinyl)piperazine
CID 22277803

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepane?
The IUPAC name of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepane (CID 69367062) is 1-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepane.
What is the SMILES notation for 1-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepane?
The canonical SMILES for 1-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepane is Fc1nc(F)c(F)c(N2CCCNCC2)c1F.
What is the InChIKey of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepane?
The InChIKey is BXGLMNQQSGGKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N3/c11-6-8(7(12)10(14)16-9(6)13)17-4-1-2-15-3-5-17/h15H,1-5H2.
What are the key properties of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepane?
1-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepane has a molecular weight of 249.21 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,4-diazepane is sourced from PubChem (CID 69367062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).