2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride

C7H10Cl2F2N2O — CID 162344202

IUPAC2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride
SMILESCl.Cl.NC(CO)c1c(F)cncc1F
InChIInChI=1S/C7H8F2N2O.2ClH/c8-4-1-11-2-5(9)7(4)6(10)3-12;;/h1-2,6,12H,3,10H2;2*1H
InChIKeyAAMMDUSANLPPEU-UHFFFAOYSA-N
MW247.07 g/mol
LogP1.20
Rot. Bonds2

About 2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride

2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride (PubChem CID 162344202) has the molecular formula C7H10Cl2F2N2O and a molecular weight of 247.07 g/mol. Its IUPAC name is 2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride
PubChem CID162344202
Molecular FormulaC7H10Cl2F2N2O
Molecular Weight247.07 g/mol
Exact Mass246.01
IUPAC Name2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride
SMILESCl.Cl.NC(CO)c1c(F)cncc1F
InChIInChI=1S/C7H8F2N2O.2ClH/c8-4-1-11-2-5(9)7(4)6(10)3-12;;/h1-2,6,12H,3,10H2;2*1H
InChIKeyAAMMDUSANLPPEU-UHFFFAOYSA-N
XLogP1.20
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol
CID 55272447
(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171204906
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
(2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol
CID 66514003
(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol
CID 66515682
(2S)-2-amino-2-(2,3,4,5,6-pentafluorophenyl)ethanol;hydrochloride
CID 171210325
(2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171215809
(2S)-2-amino-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209975
2-[(1R)-1-amino-2-hydroxyethyl]-3,5-difluorophenol;hydrochloride
CID 171253179
(1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol
CID 55272818
(1R)-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-amine
CID 130631106
(2S)-2-amino-2-(3-fluoro-6-methyl-2-pyridinyl)ethanol;dihydrochloride
CID 67033137

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride?
The IUPAC name of 2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride (CID 162344202) is 2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride.
What is the SMILES notation for 2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride?
The canonical SMILES for 2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride is Cl.Cl.NC(CO)c1c(F)cncc1F.
What is the InChIKey of 2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride?
The InChIKey is AAMMDUSANLPPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O.2ClH/c8-4-1-11-2-5(9)7(4)6(10)3-12;;/h1-2,6,12H,3,10H2;2*1H.
What are the key properties of 2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride?
2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride has a molecular weight of 247.07 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride is sourced from PubChem (CID 162344202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).