2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol

C10H14F2N2O2 — CID 106306945

IUPAC2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol
SMILESOCCOCCCNc1ncc(F)cc1F
InChIInChI=1S/C10H14F2N2O2/c11-8-6-9(12)10(14-7-8)13-2-1-4-16-5-3-15/h6-7,15H,1-5H2,(H,13,14)
InChIKeyMDGZTQSGBYGEGG-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.17
Rot. Bonds7

About 2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol

2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol (PubChem CID 106306945) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol
PubChem CID106306945
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol
SMILESOCCOCCCNc1ncc(F)cc1F
InChIInChI=1S/C10H14F2N2O2/c11-8-6-9(12)10(14-7-8)13-2-1-4-16-5-3-15/h6-7,15H,1-5H2,(H,13,14)
InChIKeyMDGZTQSGBYGEGG-UHFFFAOYSA-N
XLogP1.17
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxylic acid
CID 106305372
N-(3-chloropropyl)-3,5-difluoropyridin-2-amine
CID 112676550
3,5-difluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106012540
N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine
CID 106308312
3,5-difluoro-N-[2-(3-methylbutoxy)ethyl]pyridin-2-amine
CID 112675793
1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine
CID 106127704
5-bromo-N-(3-ethoxypropyl)-3-fluoropyridin-2-amine
CID 104923688
N-(3,3-difluoropropyl)-3,5-difluoropyridin-2-amine
CID 127013338
2-[3-[(2,4,5-trifluorophenyl)methylamino]propoxy]ethanol
CID 103992547
N-(3-chloro-4-methoxybutyl)-3,5-difluoropyridin-2-amine
CID 106243313
2-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311266
2-[3-[[5-(methylamino)-3-pyridinyl]amino]propoxy]ethanol
CID 106311546

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol?
The IUPAC name of 2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol (CID 106306945) is 2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol is OCCOCCCNc1ncc(F)cc1F.
What is the InChIKey of 2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol?
The InChIKey is MDGZTQSGBYGEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c11-8-6-9(12)10(14-7-8)13-2-1-4-16-5-3-15/h6-7,15H,1-5H2,(H,13,14).
What are the key properties of 2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol?
2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol has a molecular weight of 232.23 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,5-difluoro-2-pyridinyl)amino]propoxy]ethanol is sourced from PubChem (CID 106306945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).