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

C10H15FN2OS — CID 103820008

IUPAC3-[(6-fluoro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1cccc(F)n1
InChIInChI=1S/C10H15FN2OS/c1-7(8(6-14)15-2)12-10-5-3-4-9(11)13-10/h3-5,7-8,14H,6H2,1-2H3,(H,12,13)
InChIKeyXSEJEHRBHGGHCA-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.75
Rot. Bonds5

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

3-[(6-fluoro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol (PubChem CID 103820008) has the molecular formula C10H15FN2OS and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(6-fluoro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(6-fluoro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
PubChem CID103820008
Molecular FormulaC10H15FN2OS
Molecular Weight230.31 g/mol
Exact Mass230.09
IUPAC Name3-[(6-fluoro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1cccc(F)n1
InChIInChI=1S/C10H15FN2OS/c1-7(8(6-14)15-2)12-10-5-3-4-9(11)13-10/h3-5,7-8,14H,6H2,1-2H3,(H,12,13)
InChIKeyXSEJEHRBHGGHCA-UHFFFAOYSA-N
XLogP1.75
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(6-fluoro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol (CID 103820008) is 3-[(6-fluoro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(6-fluoro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(6-fluoro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)Nc1cccc(F)n1.
What is the InChIKey of 3-[(6-fluoro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is XSEJEHRBHGGHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2OS/c1-7(8(6-14)15-2)12-10-5-3-4-9(11)13-10/h3-5,7-8,14H,6H2,1-2H3,(H,12,13).
What are the key properties of 3-[(6-fluoro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol?
3-[(6-fluoro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 230.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-2-pyridinyl)amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 103820008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).