4-[(6-fluoro-2-pyridinyl)amino]-2-methylhexan-1-ol

C12H19FN2O — CID 71991040

IUPAC4-[(6-fluoro-2-pyridinyl)amino]-2-methylhexan-1-ol
SMILESCCC(CC(C)CO)Nc1cccc(F)n1
InChIInChI=1S/C12H19FN2O/c1-3-10(7-9(2)8-16)14-12-6-4-5-11(13)15-12/h4-6,9-10,16H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyGTTOLSAKFIFOCH-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.43
Rot. Bonds6

About 4-[(6-fluoro-2-pyridinyl)amino]-2-methylhexan-1-ol

4-[(6-fluoro-2-pyridinyl)amino]-2-methylhexan-1-ol (PubChem CID 71991040) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 4-[(6-fluoro-2-pyridinyl)amino]-2-methylhexan-1-ol.

Molecular Properties

Compound Name4-[(6-fluoro-2-pyridinyl)amino]-2-methylhexan-1-ol
PubChem CID71991040
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name4-[(6-fluoro-2-pyridinyl)amino]-2-methylhexan-1-ol
SMILESCCC(CC(C)CO)Nc1cccc(F)n1
InChIInChI=1S/C12H19FN2O/c1-3-10(7-9(2)8-16)14-12-6-4-5-11(13)15-12/h4-6,9-10,16H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyGTTOLSAKFIFOCH-UHFFFAOYSA-N
XLogP2.43
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-[(6-fluoro-2-pyridinyl)amino]-2-methylhexan-1-ol?
The IUPAC name of 4-[(6-fluoro-2-pyridinyl)amino]-2-methylhexan-1-ol (CID 71991040) is 4-[(6-fluoro-2-pyridinyl)amino]-2-methylhexan-1-ol.
What is the SMILES notation for 4-[(6-fluoro-2-pyridinyl)amino]-2-methylhexan-1-ol?
The canonical SMILES for 4-[(6-fluoro-2-pyridinyl)amino]-2-methylhexan-1-ol is CCC(CC(C)CO)Nc1cccc(F)n1.
What is the InChIKey of 4-[(6-fluoro-2-pyridinyl)amino]-2-methylhexan-1-ol?
The InChIKey is GTTOLSAKFIFOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-3-10(7-9(2)8-16)14-12-6-4-5-11(13)15-12/h4-6,9-10,16H,3,7-8H2,1-2H3,(H,14,15).
What are the key properties of 4-[(6-fluoro-2-pyridinyl)amino]-2-methylhexan-1-ol?
4-[(6-fluoro-2-pyridinyl)amino]-2-methylhexan-1-ol has a molecular weight of 226.29 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2-pyridinyl)amino]-2-methylhexan-1-ol is sourced from PubChem (CID 71991040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).