1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol

C11H17FN2O — CID 107153298

IUPAC1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1ccc(F)cn1
InChIInChI=1S/C11H17FN2O/c1-8(2)5-10(15)7-14-11-4-3-9(12)6-13-11/h3-4,6,8,10,15H,5,7H2,1-2H3,(H,13,14)
InChIKeySRDWIANXDFZKNF-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.04
Rot. Bonds5

About 1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol

1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol (PubChem CID 107153298) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol
PubChem CID107153298
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1ccc(F)cn1
InChIInChI=1S/C11H17FN2O/c1-8(2)5-10(15)7-14-11-4-3-9(12)6-13-11/h3-4,6,8,10,15H,5,7H2,1-2H3,(H,13,14)
InChIKeySRDWIANXDFZKNF-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol (CID 107153298) is 1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol is CC(C)CC(O)CNc1ccc(F)cn1.
What is the InChIKey of 1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol?
The InChIKey is SRDWIANXDFZKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-8(2)5-10(15)7-14-11-4-3-9(12)6-13-11/h3-4,6,8,10,15H,5,7H2,1-2H3,(H,13,14).
What are the key properties of 1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol?
1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-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 1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107153298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).