3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol

C10H15FN2OS — CID 103702970

IUPAC3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNc1cccc(F)n1
InChIInChI=1S/C10H15FN2OS/c11-9-3-1-4-10(13-9)12-5-8-15-7-2-6-14/h1,3-4,14H,2,5-8H2,(H,12,13)
InChIKeyNGPUDIMHUDVQNJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.75
Rot. Bonds7

About 3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol

3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol (PubChem CID 103702970) has the molecular formula C10H15FN2OS and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol
PubChem CID103702970
Molecular FormulaC10H15FN2OS
Molecular Weight230.31 g/mol
Exact Mass230.09
IUPAC Name3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNc1cccc(F)n1
InChIInChI=1S/C10H15FN2OS/c11-9-3-1-4-10(13-9)12-5-8-15-7-2-6-14/h1,3-4,14H,2,5-8H2,(H,12,13)
InChIKeyNGPUDIMHUDVQNJ-UHFFFAOYSA-N
XLogP1.75
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylsulfanylpropyl)-6-fluoropyridin-2-amine
CID 116812922
N-(3,3-difluoropropyl)-6-fluoropyridin-2-amine
CID 130610509
N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine
CID 61228791
5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 103895914
5-[(6-fluoro-2-pyridinyl)amino]pentanamide
CID 106239975
3-[2-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311792
3-[2-[(6-hydrazinylpyrazin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311883
3-[2-[(6-amino-2-phenylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311691
N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 61229371
3-[2-[(6-bromo-2-tert-butylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 114172004
3-[2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311324
3-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 133437196

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol (CID 103702970) is 3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol is OCCCSCCNc1cccc(F)n1.
What is the InChIKey of 3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol?
The InChIKey is NGPUDIMHUDVQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2OS/c11-9-3-1-4-10(13-9)12-5-8-15-7-2-6-14/h1,3-4,14H,2,5-8H2,(H,12,13).
What are the key properties of 3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol?
3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol has a molecular weight of 230.31 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 103702970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).