(2S)-2-amino-2-(5-fluoro-4-methyl-2-pyridinyl)ethanol

C8H11FN2O — CID 67033062

IUPAC(2S)-2-amino-2-(5-fluoro-4-methyl-2-pyridinyl)ethanol
SMILESCc1cc([C@H](N)CO)ncc1F
InChIInChI=1S/C8H11FN2O/c1-5-2-8(7(10)4-12)11-3-6(5)9/h2-3,7,12H,4,10H2,1H3/t7-/m1/s1
InChIKeySUBZJRVQFGQZOF-SSDOTTSWSA-N
MW170.19 g/mol
LogP0.52
Rot. Bonds2

About (2S)-2-amino-2-(5-fluoro-4-methyl-2-pyridinyl)ethanol

(2S)-2-amino-2-(5-fluoro-4-methyl-2-pyridinyl)ethanol (PubChem CID 67033062) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is (2S)-2-amino-2-(5-fluoro-4-methyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(5-fluoro-4-methyl-2-pyridinyl)ethanol
PubChem CID67033062
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name(2S)-2-amino-2-(5-fluoro-4-methyl-2-pyridinyl)ethanol
SMILESCc1cc([C@H](N)CO)ncc1F
InChIInChI=1S/C8H11FN2O/c1-5-2-8(7(10)4-12)11-3-6(5)9/h2-3,7,12H,4,10H2,1H3/t7-/m1/s1
InChIKeySUBZJRVQFGQZOF-SSDOTTSWSA-N
XLogP0.52
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051
(2R)-2-amino-2-(3,5-difluoro-2-pyridinyl)ethanol
CID 70700762
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
(2S)-2-amino-2-(4-bromo-5-chloro-2-pyridinyl)ethanol
CID 131607002
(2R)-2-amino-2-(5-bromo-3-fluoro-2-pyridinyl)ethanol
CID 131139047
2-amino-2-(4-bromo-5-chloro-2-pyridinyl)ethanol
CID 131607003
(2R)-2-amino-2-(4-amino-2-fluoro-5-methylphenyl)ethanol
CID 66513540
2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol
CID 55272427
4-(1-amino-2-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769631
2-amino-2-(5-chloropyrazin-2-yl)ethanol
CID 83827335
2-amino-2-(5-methyl-1H-pyrazol-3-yl)ethanol
CID 82594248
2-amino-2-(5-methyl-1,2-oxazol-3-yl)ethanol
CID 82417979

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(5-fluoro-4-methyl-2-pyridinyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(5-fluoro-4-methyl-2-pyridinyl)ethanol (CID 67033062) is (2S)-2-amino-2-(5-fluoro-4-methyl-2-pyridinyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(5-fluoro-4-methyl-2-pyridinyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(5-fluoro-4-methyl-2-pyridinyl)ethanol is Cc1cc([C@H](N)CO)ncc1F.
What is the InChIKey of (2S)-2-amino-2-(5-fluoro-4-methyl-2-pyridinyl)ethanol?
The InChIKey is SUBZJRVQFGQZOF-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-5-2-8(7(10)4-12)11-3-6(5)9/h2-3,7,12H,4,10H2,1H3/t7-/m1/s1.
What are the key properties of (2S)-2-amino-2-(5-fluoro-4-methyl-2-pyridinyl)ethanol?
(2S)-2-amino-2-(5-fluoro-4-methyl-2-pyridinyl)ethanol has a molecular weight of 170.19 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(5-fluoro-4-methyl-2-pyridinyl)ethanol is sourced from PubChem (CID 67033062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).