2-[(6-fluoro-2-pyridinyl)amino]but-3-en-1-ol

C9H11FN2O — CID 126987371

IUPAC2-[(6-fluoro-2-pyridinyl)amino]but-3-en-1-ol
SMILESC=CC(CO)Nc1cccc(F)n1
InChIInChI=1S/C9H11FN2O/c1-2-7(6-13)11-9-5-3-4-8(10)12-9/h2-5,7,13H,1,6H2,(H,11,12)
InChIKeyGFYXSDWYNXQGLQ-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.18
Rot. Bonds4

About 2-[(6-fluoro-2-pyridinyl)amino]but-3-en-1-ol

2-[(6-fluoro-2-pyridinyl)amino]but-3-en-1-ol (PubChem CID 126987371) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-[(6-fluoro-2-pyridinyl)amino]but-3-en-1-ol.

Molecular Properties

Compound Name2-[(6-fluoro-2-pyridinyl)amino]but-3-en-1-ol
PubChem CID126987371
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name2-[(6-fluoro-2-pyridinyl)amino]but-3-en-1-ol
SMILESC=CC(CO)Nc1cccc(F)n1
InChIInChI=1S/C9H11FN2O/c1-2-7(6-13)11-9-5-3-4-8(10)12-9/h2-5,7,13H,1,6H2,(H,11,12)
InChIKeyGFYXSDWYNXQGLQ-UHFFFAOYSA-N
XLogP1.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-((Pyridin-2-yl)amino)ethan-1-ol
CID 420844
2-(2-Hydroxyethylamino)-pyridine hydrochloride
CID 2827516
2-((5-(Trifluoromethyl)pyridin-2-yl)amino)ethan-1-ol
CID 2986104
(2R)-2-[[6-(4,4-difluoropiperidin-1-yl)-3-fluoropyridin-2-yl]methylamino]-3-methylbutan-1-ol
CID 68312689
(2S)-2-((3-fluoropyridin-2-yl)(methyl)amino)propan-1-ol
CID 126787150
3-((Pyridin-2-yl)amino)propan-1-ol
CID 11412479
(2R)-3-methyl-2-[(6-piperidin-1-yl-2-pyridinyl)methylamino]butan-1-ol
CID 68312518
(2R)-3-methyl-2-[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]butan-1-ol
CID 68312570
2-[(3-Aminopyridin-2-yl)amino]ethan-1-ol
CID 15718762
6-(Morpholin-4-yl)pyridin-2-amine
CID 18771860
[1-(6-Fluoropyridin-2-yl)piperidin-4-yl]methanol
CID 61228778
(2S)-2-((5-bromopyridin-2-yl)amino)propan-1-ol
CID 70223643

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-pyridinyl)amino]but-3-en-1-ol?
The IUPAC name of 2-[(6-fluoro-2-pyridinyl)amino]but-3-en-1-ol (CID 126987371) is 2-[(6-fluoro-2-pyridinyl)amino]but-3-en-1-ol.
What is the SMILES notation for 2-[(6-fluoro-2-pyridinyl)amino]but-3-en-1-ol?
The canonical SMILES for 2-[(6-fluoro-2-pyridinyl)amino]but-3-en-1-ol is C=CC(CO)Nc1cccc(F)n1.
What is the InChIKey of 2-[(6-fluoro-2-pyridinyl)amino]but-3-en-1-ol?
The InChIKey is GFYXSDWYNXQGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-2-7(6-13)11-9-5-3-4-8(10)12-9/h2-5,7,13H,1,6H2,(H,11,12).
What are the key properties of 2-[(6-fluoro-2-pyridinyl)amino]but-3-en-1-ol?
2-[(6-fluoro-2-pyridinyl)amino]but-3-en-1-ol has a molecular weight of 182.20 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-pyridinyl)amino]but-3-en-1-ol is sourced from PubChem (CID 126987371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).