1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane

C11H14F3N3 — CID 2760779

IUPAC1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
SMILESFC(F)(F)c1ccc(N2CCCNCC2)nc1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)9-2-3-10(16-8-9)17-6-1-4-15-5-7-17/h2-3,8,15H,1,4-7H2
InChIKeyIBMSHQVIAUTKDL-UHFFFAOYSA-N
MW245.25 g/mol
LogP1.90
Rot. Bonds1

About 1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane

1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane (PubChem CID 2760779) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
PubChem CID2760779
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
SMILESFC(F)(F)c1ccc(N2CCCNCC2)nc1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)9-2-3-10(16-8-9)17-6-1-4-15-5-7-17/h2-3,8,15H,1,4-7H2
InChIKeyIBMSHQVIAUTKDL-UHFFFAOYSA-N
XLogP1.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
1-(5-methoxy-2-pyridinyl)-1,4-diazepane
CID 83848456
2,2-difluoro-5-[5-(trifluoromethyl)-2-pyridinyl]-5-azaspiro[2.5]octane
CID 175648534
1-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine
CID 163230421
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
1-(azepan-1-ylsulfonyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane
CID 24592288
(1R)-1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 161121237
4-[6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282533
2-(6-pyrrolidin-1-yl-3-pyridinyl)propan-2-amine
CID 96861611

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane?
The IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane (CID 2760779) is 1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane.
What is the SMILES notation for 1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane?
The canonical SMILES for 1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane is FC(F)(F)c1ccc(N2CCCNCC2)nc1.
What is the InChIKey of 1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane?
The InChIKey is IBMSHQVIAUTKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c12-11(13,14)9-2-3-10(16-8-9)17-6-1-4-15-5-7-17/h2-3,8,15H,1,4-7H2.
What are the key properties of 1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane?
1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane has a molecular weight of 245.25 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane is sourced from PubChem (CID 2760779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).