4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane

C11H15FN2O — CID 62967987

IUPAC4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane
SMILESCC1CN(c2cccc(F)n2)CCCO1
InChIInChI=1S/C11H15FN2O/c1-9-8-14(6-3-7-15-9)11-5-2-4-10(12)13-11/h2,4-5,9H,3,6-8H2,1H3
InChIKeyMLCIMERNGBXSKQ-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.84
Rot. Bonds1

About 4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane

4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane (PubChem CID 62967987) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane.

Molecular Properties

Compound Name4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane
PubChem CID62967987
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane
SMILESCC1CN(c2cccc(F)n2)CCCO1
InChIInChI=1S/C11H15FN2O/c1-9-8-14(6-3-7-15-9)11-5-2-4-10(12)13-11/h2,4-5,9H,3,6-8H2,1H3
InChIKeyMLCIMERNGBXSKQ-UHFFFAOYSA-N
XLogP1.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane?
The IUPAC name of 4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane (CID 62967987) is 4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane.
What is the SMILES notation for 4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane?
The canonical SMILES for 4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane is CC1CN(c2cccc(F)n2)CCCO1.
What is the InChIKey of 4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane?
The InChIKey is MLCIMERNGBXSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-9-8-14(6-3-7-15-9)11-5-2-4-10(12)13-11/h2,4-5,9H,3,6-8H2,1H3.
What are the key properties of 4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane?
4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane has a molecular weight of 210.25 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2-pyridinyl)-2-methyl-1,4-oxazepane is sourced from PubChem (CID 62967987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).