2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol

C10H15F2N3O2 — CID 114074203

IUPAC2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol
SMILESCNc1nc(N(CCO)CCO)c(F)cc1F
InChIInChI=1S/C10H15F2N3O2/c1-13-9-7(11)6-8(12)10(14-9)15(2-4-16)3-5-17/h6,16-17H,2-5H2,1H3,(H,13,14)
InChIKeyKWQQLPMGOPUDIU-UHFFFAOYSA-N
MW247.24 g/mol
LogP0.19
Rot. Bonds6

About 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol

2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 114074203) has the molecular formula C10H15F2N3O2 and a molecular weight of 247.24 g/mol. Its IUPAC name is 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID114074203
Molecular FormulaC10H15F2N3O2
Molecular Weight247.24 g/mol
Exact Mass247.11
IUPAC Name2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol
SMILESCNc1nc(N(CCO)CCO)c(F)cc1F
InChIInChI=1S/C10H15F2N3O2/c1-13-9-7(11)6-8(12)10(14-9)15(2-4-16)3-5-17/h6,16-17H,2-5H2,1H3,(H,13,14)
InChIKeyKWQQLPMGOPUDIU-UHFFFAOYSA-N
XLogP0.19
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol (CID 114074203) is 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol is CNc1nc(N(CCO)CCO)c(F)cc1F.
What is the InChIKey of 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is KWQQLPMGOPUDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2/c1-13-9-7(11)6-8(12)10(14-9)15(2-4-16)3-5-17/h6,16-17H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol?
2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 247.24 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-difluoro-6-(methylamino)-2-pyridinyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 114074203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).