(2S)-2-amino-2-(3-fluoro-6-methyl-2-pyridinyl)ethanol;dihydrochloride

C8H13Cl2FN2O — CID 67033137

IUPAC(2S)-2-amino-2-(3-fluoro-6-methyl-2-pyridinyl)ethanol;dihydrochloride
SMILESCc1ccc(F)c([C@H](N)CO)n1.Cl.Cl
InChIInChI=1S/C8H11FN2O.2ClH/c1-5-2-3-6(9)8(11-5)7(10)4-12;;/h2-3,7,12H,4,10H2,1H3;2*1H/t7-;;/m1../s1
InChIKeyZUEMRUFHMJIGTB-XCUBXKJBSA-N
MW243.11 g/mol
LogP1.36
Rot. Bonds2

About (2S)-2-amino-2-(3-fluoro-6-methyl-2-pyridinyl)ethanol;dihydrochloride

(2S)-2-amino-2-(3-fluoro-6-methyl-2-pyridinyl)ethanol;dihydrochloride (PubChem CID 67033137) has the molecular formula C8H13Cl2FN2O and a molecular weight of 243.11 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-fluoro-6-methyl-2-pyridinyl)ethanol;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-fluoro-6-methyl-2-pyridinyl)ethanol;dihydrochloride
PubChem CID67033137
Molecular FormulaC8H13Cl2FN2O
Molecular Weight243.11 g/mol
Exact Mass242.04
IUPAC Name(2S)-2-amino-2-(3-fluoro-6-methyl-2-pyridinyl)ethanol;dihydrochloride
SMILESCc1ccc(F)c([C@H](N)CO)n1.Cl.Cl
InChIInChI=1S/C8H11FN2O.2ClH/c1-5-2-3-6(9)8(11-5)7(10)4-12;;/h2-3,7,12H,4,10H2,1H3;2*1H/t7-;;/m1../s1
InChIKeyZUEMRUFHMJIGTB-XCUBXKJBSA-N
XLogP1.36
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(2,6-dimethyl-3-pyridinyl)ethanol
CID 96740448
(2S)-2-amino-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209975
4-(3-fluoro-6-methyl-2-pyridinyl)-3,4-dihydroxybutanamide
CID 171898885
S-[3-(3-fluoro-6-methyl-2-pyridinyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821645
2-amino-2-(8-fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)ethanol
CID 84676649
(3-fluoro-6-methyl-2-pyridinyl)methanamine;hydrochloride
CID 53395629
2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride
CID 162344202
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209714
(2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
CID 67034159
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-fluoro-6-methyl-2-pyridinyl)ethanol;dihydrochloride?
The IUPAC name of (2S)-2-amino-2-(3-fluoro-6-methyl-2-pyridinyl)ethanol;dihydrochloride (CID 67033137) is (2S)-2-amino-2-(3-fluoro-6-methyl-2-pyridinyl)ethanol;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(3-fluoro-6-methyl-2-pyridinyl)ethanol;dihydrochloride?
The canonical SMILES for (2S)-2-amino-2-(3-fluoro-6-methyl-2-pyridinyl)ethanol;dihydrochloride is Cc1ccc(F)c([C@H](N)CO)n1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-2-(3-fluoro-6-methyl-2-pyridinyl)ethanol;dihydrochloride?
The InChIKey is ZUEMRUFHMJIGTB-XCUBXKJBSA-N. The full InChI is InChI=1S/C8H11FN2O.2ClH/c1-5-2-3-6(9)8(11-5)7(10)4-12;;/h2-3,7,12H,4,10H2,1H3;2*1H/t7-;;/m1../s1.
What are the key properties of (2S)-2-amino-2-(3-fluoro-6-methyl-2-pyridinyl)ethanol;dihydrochloride?
(2S)-2-amino-2-(3-fluoro-6-methyl-2-pyridinyl)ethanol;dihydrochloride has a molecular weight of 243.11 g/mol, XLogP of 1.36, 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-(3-fluoro-6-methyl-2-pyridinyl)ethanol;dihydrochloride is sourced from PubChem (CID 67033137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).