1-[5-(trifluoromethoxy)-2-pyridinyl]azepane

C12H15F3N2O — CID 133487864

IUPAC1-[5-(trifluoromethoxy)-2-pyridinyl]azepane
SMILESFC(F)(F)Oc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)18-10-5-6-11(16-9-10)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8H2
InChIKeyPCDDPQHLDXIRPR-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.36
Rot. Bonds2

About 1-[5-(trifluoromethoxy)-2-pyridinyl]azepane

1-[5-(trifluoromethoxy)-2-pyridinyl]azepane (PubChem CID 133487864) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-[5-(trifluoromethoxy)-2-pyridinyl]azepane.

Molecular Properties

Compound Name1-[5-(trifluoromethoxy)-2-pyridinyl]azepane
PubChem CID133487864
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name1-[5-(trifluoromethoxy)-2-pyridinyl]azepane
SMILESFC(F)(F)Oc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)18-10-5-6-11(16-9-10)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8H2
InChIKeyPCDDPQHLDXIRPR-UHFFFAOYSA-N
XLogP3.36
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 86816281
1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
CID 133488140
1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol
CID 133488109
2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol
CID 133488124
1-pyrrolidin-1-yl-2-[4-[5-(trifluoromethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 133489362
1-(2,2,3,3-tetrafluoropropyl)-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
CID 167756362
1-[5-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-yl]-azacycloundecane
CID 147066816
(3aS,6aS)-5-[5-(trifluoromethoxy)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 169122874
4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-2-one
CID 133488279
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55746212
2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 3537747
2-(3-ethylpyrrolidin-1-yl)-5-(trifluoromethoxy)pyridine
CID 133493218

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethoxy)-2-pyridinyl]azepane?
The IUPAC name of 1-[5-(trifluoromethoxy)-2-pyridinyl]azepane (CID 133487864) is 1-[5-(trifluoromethoxy)-2-pyridinyl]azepane.
What is the SMILES notation for 1-[5-(trifluoromethoxy)-2-pyridinyl]azepane?
The canonical SMILES for 1-[5-(trifluoromethoxy)-2-pyridinyl]azepane is FC(F)(F)Oc1ccc(N2CCCCCC2)nc1.
What is the InChIKey of 1-[5-(trifluoromethoxy)-2-pyridinyl]azepane?
The InChIKey is PCDDPQHLDXIRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)18-10-5-6-11(16-9-10)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8H2.
What are the key properties of 1-[5-(trifluoromethoxy)-2-pyridinyl]azepane?
1-[5-(trifluoromethoxy)-2-pyridinyl]azepane has a molecular weight of 260.26 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethoxy)-2-pyridinyl]azepane is sourced from PubChem (CID 133487864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).