3-[(6-fluoro-2-pyridinyl)amino]-4-methylpentan-1-ol

C11H17FN2O — CID 71998131

IUPAC3-[(6-fluoro-2-pyridinyl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1cccc(F)n1
InChIInChI=1S/C11H17FN2O/c1-8(2)9(6-7-15)13-11-5-3-4-10(12)14-11/h3-5,8-9,15H,6-7H2,1-2H3,(H,13,14)
InChIKeyMZIJUPQDGPPHES-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.04
Rot. Bonds5

About 3-[(6-fluoro-2-pyridinyl)amino]-4-methylpentan-1-ol

3-[(6-fluoro-2-pyridinyl)amino]-4-methylpentan-1-ol (PubChem CID 71998131) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-[(6-fluoro-2-pyridinyl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(6-fluoro-2-pyridinyl)amino]-4-methylpentan-1-ol
PubChem CID71998131
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name3-[(6-fluoro-2-pyridinyl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1cccc(F)n1
InChIInChI=1S/C11H17FN2O/c1-8(2)9(6-7-15)13-11-5-3-4-10(12)14-11/h3-5,8-9,15H,6-7H2,1-2H3,(H,13,14)
InChIKeyMZIJUPQDGPPHES-UHFFFAOYSA-N
XLogP2.04
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.04
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 3-[(6-fluoro-2-pyridinyl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(6-fluoro-2-pyridinyl)amino]-4-methylpentan-1-ol (CID 71998131) is 3-[(6-fluoro-2-pyridinyl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(6-fluoro-2-pyridinyl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(6-fluoro-2-pyridinyl)amino]-4-methylpentan-1-ol is CC(C)C(CCO)Nc1cccc(F)n1.
What is the InChIKey of 3-[(6-fluoro-2-pyridinyl)amino]-4-methylpentan-1-ol?
The InChIKey is MZIJUPQDGPPHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-8(2)9(6-7-15)13-11-5-3-4-10(12)14-11/h3-5,8-9,15H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 3-[(6-fluoro-2-pyridinyl)amino]-4-methylpentan-1-ol?
3-[(6-fluoro-2-pyridinyl)amino]-4-methylpentan-1-ol has a molecular weight of 212.27 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-2-pyridinyl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 71998131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).