2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol

C10H15FN2O — CID 112586602

IUPAC2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol
SMILESCCC(O)(CNC)c1ccc(F)cn1
InChIInChI=1S/C10H15FN2O/c1-3-10(14,7-12-2)9-5-4-8(11)6-13-9/h4-6,12,14H,3,7H2,1-2H3
InChIKeyUUNQMWWEYCKTGQ-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.04
Rot. Bonds4

About 2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol

2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol (PubChem CID 112586602) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol
PubChem CID112586602
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol
SMILESCCC(O)(CNC)c1ccc(F)cn1
InChIInChI=1S/C10H15FN2O/c1-3-10(14,7-12-2)9-5-4-8(11)6-13-9/h4-6,12,14H,3,7H2,1-2H3
InChIKeyUUNQMWWEYCKTGQ-UHFFFAOYSA-N
XLogP1.04
TPSA45.15 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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol
CID 112585804
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol
CID 114852677
6-ethylsulfonyl-3-(5-fluoro-2-pyridinyl)hexan-3-ol
CID 112585907
1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 114347015
2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol
CID 112585862
2-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylbutan-2-ol
CID 112585843
1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585936
1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 115940685
2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol
CID 112585844
1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585919
1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83129340

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol (CID 112586602) is 2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol is CCC(O)(CNC)c1ccc(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol?
The InChIKey is UUNQMWWEYCKTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-3-10(14,7-12-2)9-5-4-8(11)6-13-9/h4-6,12,14H,3,7H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol?
2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol has a molecular weight of 198.24 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol is sourced from PubChem (CID 112586602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).