2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol

C10H15F2N3O — CID 107478248

IUPAC2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
SMILESCc1cc(N)cnc1N(CCO)CC(F)F
InChIInChI=1S/C10H15F2N3O/c1-7-4-8(13)5-14-10(7)15(2-3-16)6-9(11)12/h4-5,9,16H,2-3,6,13H2,1H3
InChIKeyUAXJROOYNBAKIY-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.04
Rot. Bonds5

About 2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol

2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478248) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478248
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
SMILESCc1cc(N)cnc1N(CCO)CC(F)F
InChIInChI=1S/C10H15F2N3O/c1-7-4-8(13)5-14-10(7)15(2-3-16)6-9(11)12/h4-5,9,16H,2-3,6,13H2,1H3
InChIKeyUAXJROOYNBAKIY-UHFFFAOYSA-N
XLogP1.04
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

5-[(5-amino-3-methyl-2-pyridinyl)-methylamino]pentan-1-ol
CID 107197760
2-[(5-aminopyrazin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495031
2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495177
2-[(5-amino-3-methyl-2-pyridinyl)-(cyanomethyl)amino]acetonitrile
CID 62475667
2-[2,2-difluoroethyl-(3-methyl-[1,2]thiazolo[5,4-d]pyrimidin-4-yl)amino]ethanol
CID 114203332
2-[(3-bromo-5-nitro-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107484213
2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107478418
2-[2,2-difluoroethyl-[2-(methylamino)-4-pyridinyl]amino]ethanol
CID 107495109
2-amino-5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carboxamide
CID 114195454
2-N-(2,2-dimethylpropyl)-2-N,3-dimethylpyridine-2,5-diamine
CID 62475716
2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107484163
2-[[3-(aminomethyl)-2-pyridinyl]-(2,2-difluoroethyl)amino]ethanol
CID 107478427

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol (CID 107478248) is 2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol is Cc1cc(N)cnc1N(CCO)CC(F)F.
What is the InChIKey of 2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is UAXJROOYNBAKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-7-4-8(13)5-14-10(7)15(2-3-16)6-9(11)12/h4-5,9,16H,2-3,6,13H2,1H3.
What are the key properties of 2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol?
2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 231.25 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).