5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol

C11H15F3N2O — CID 107302474

IUPAC5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
SMILESOCCCCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)9-5-4-7-16-10(9)15-6-2-1-3-8-17/h4-5,7,17H,1-3,6,8H2,(H,15,16)
InChIKeyCHIDHIHBGADUSU-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.67
Rot. Bonds6

About 5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol

5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol (PubChem CID 107302474) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
PubChem CID107302474
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
SMILESOCCCCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)9-5-4-7-16-10(9)15-6-2-1-3-8-17/h4-5,7,17H,1-3,6,8H2,(H,15,16)
InChIKeyCHIDHIHBGADUSU-UHFFFAOYSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[3-(trifluoromethyl)-2-pyridinyl]amino]hexan-1-ol
CID 103918216
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N-cyclopropyl-N'-[3-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
CID 43599663
N-(3-pyrazol-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 115579994
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
3-[[3-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
CID 66177550
6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848736
N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 54943560
N-[(E)-pent-3-enyl]-3-(trifluoromethyl)pyridin-2-amine
CID 115628581
N-(3-piperazin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43443470

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
The IUPAC name of 5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol (CID 107302474) is 5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol is OCCCCCNc1ncccc1C(F)(F)F.
What is the InChIKey of 5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
The InChIKey is CHIDHIHBGADUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)9-5-4-7-16-10(9)15-6-2-1-3-8-17/h4-5,7,17H,1-3,6,8H2,(H,15,16).
What are the key properties of 5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol?
5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol has a molecular weight of 248.25 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol is sourced from PubChem (CID 107302474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).