4-amino-3-(5-fluoro-2-pyridinyl)-3-methylbutan-1-ol

C10H15FN2O — CID 83129645

IUPAC4-amino-3-(5-fluoro-2-pyridinyl)-3-methylbutan-1-ol
SMILESCC(CN)(CCO)c1ccc(F)cn1
InChIInChI=1S/C10H15FN2O/c1-10(7-12,4-5-14)9-3-2-8(11)6-13-9/h2-3,6,14H,4-5,7,12H2,1H3
InChIKeyGTRVLBRGJMYTQC-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.82
Rot. Bonds4

About 4-amino-3-(5-fluoro-2-pyridinyl)-3-methylbutan-1-ol

4-amino-3-(5-fluoro-2-pyridinyl)-3-methylbutan-1-ol (PubChem CID 83129645) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 4-amino-3-(5-fluoro-2-pyridinyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-amino-3-(5-fluoro-2-pyridinyl)-3-methylbutan-1-ol
PubChem CID83129645
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name4-amino-3-(5-fluoro-2-pyridinyl)-3-methylbutan-1-ol
SMILESCC(CN)(CCO)c1ccc(F)cn1
InChIInChI=1S/C10H15FN2O/c1-10(7-12,4-5-14)9-3-2-8(11)6-13-9/h2-3,6,14H,4-5,7,12H2,1H3
InChIKeyGTRVLBRGJMYTQC-UHFFFAOYSA-N
XLogP0.82
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-fluoro-2-pyridinyl)-3-methylbutan-1-ol?
The IUPAC name of 4-amino-3-(5-fluoro-2-pyridinyl)-3-methylbutan-1-ol (CID 83129645) is 4-amino-3-(5-fluoro-2-pyridinyl)-3-methylbutan-1-ol.
What is the SMILES notation for 4-amino-3-(5-fluoro-2-pyridinyl)-3-methylbutan-1-ol?
The canonical SMILES for 4-amino-3-(5-fluoro-2-pyridinyl)-3-methylbutan-1-ol is CC(CN)(CCO)c1ccc(F)cn1.
What is the InChIKey of 4-amino-3-(5-fluoro-2-pyridinyl)-3-methylbutan-1-ol?
The InChIKey is GTRVLBRGJMYTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-10(7-12,4-5-14)9-3-2-8(11)6-13-9/h2-3,6,14H,4-5,7,12H2,1H3.
What are the key properties of 4-amino-3-(5-fluoro-2-pyridinyl)-3-methylbutan-1-ol?
4-amino-3-(5-fluoro-2-pyridinyl)-3-methylbutan-1-ol has a molecular weight of 198.24 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-fluoro-2-pyridinyl)-3-methylbutan-1-ol is sourced from PubChem (CID 83129645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).