4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol

C9H13FN2O — CID 104739345

IUPAC4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol
SMILESCC(O)(CCN)c1ccncc1F
InChIInChI=1S/C9H13FN2O/c1-9(13,3-4-11)7-2-5-12-6-8(7)10/h2,5-6,13H,3-4,11H2,1H3
InChIKeyOHCXRGJNKRQVLQ-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.78
Rot. Bonds3

About 4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol

4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol (PubChem CID 104739345) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol
PubChem CID104739345
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol
SMILESCC(O)(CCN)c1ccncc1F
InChIInChI=1S/C9H13FN2O/c1-9(13,3-4-11)7-2-5-12-6-8(7)10/h2,5-6,13H,3-4,11H2,1H3
InChIKeyOHCXRGJNKRQVLQ-UHFFFAOYSA-N
XLogP0.78
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol
CID 116535810
2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol
CID 104739354
2-(3-fluoro-4-pyridinyl)-4,4-dimethoxybutan-2-ol
CID 104737628
1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol
CID 114832951
1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol
CID 104737502
1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol
CID 104737726
1-amino-2-(4-methyl-3-pyridinyl)propan-2-ol
CID 66271911
2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol
CID 104737591
2-(3-fluoro-4-pyridinyl)-1-methoxy-3-methylbutan-2-ol
CID 104737660
2-(dimethylamino)-2-(3-fluoro-4-pyridinyl)pentanamide
CID 129053532
2-[4-(trifluoromethyl)-3-pyridinyl]hex-5-en-2-ol
CID 102707477
2-(4-methyl-3-pyridinyl)butan-2-ol
CID 66273296

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol?
The IUPAC name of 4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol (CID 104739345) is 4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol.
What is the SMILES notation for 4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol?
The canonical SMILES for 4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol is CC(O)(CCN)c1ccncc1F.
What is the InChIKey of 4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol?
The InChIKey is OHCXRGJNKRQVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-9(13,3-4-11)7-2-5-12-6-8(7)10/h2,5-6,13H,3-4,11H2,1H3.
What are the key properties of 4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol?
4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol has a molecular weight of 184.21 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol is sourced from PubChem (CID 104739345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).