2-[(5-chloropyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol

C9H12ClF2N3O — CID 107479150

IUPAC2-[(5-chloropyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(Cc1cnc(Cl)cn1)CC(F)F
InChIInChI=1S/C9H12ClF2N3O/c10-8-4-13-7(3-14-8)5-15(1-2-16)6-9(11)12/h3-4,9,16H,1-2,5-6H2
InChIKeyZERSHZMYKQVAQQ-UHFFFAOYSA-N
MW251.66 g/mol
LogP1.19
Rot. Bonds6

About 2-[(5-chloropyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol

2-[(5-chloropyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107479150) has the molecular formula C9H12ClF2N3O and a molecular weight of 251.66 g/mol. Its IUPAC name is 2-[(5-chloropyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-chloropyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107479150
Molecular FormulaC9H12ClF2N3O
Molecular Weight251.66 g/mol
Exact Mass251.06
IUPAC Name2-[(5-chloropyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(Cc1cnc(Cl)cn1)CC(F)F
InChIInChI=1S/C9H12ClF2N3O/c10-8-4-13-7(3-14-8)5-15(1-2-16)6-9(11)12/h3-4,9,16H,1-2,5-6H2
InChIKeyZERSHZMYKQVAQQ-UHFFFAOYSA-N
XLogP1.19
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.66
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-chloropyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol (CID 107479150) is 2-[(5-chloropyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-chloropyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-chloropyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol is OCCN(Cc1cnc(Cl)cn1)CC(F)F.
What is the InChIKey of 2-[(5-chloropyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is ZERSHZMYKQVAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF2N3O/c10-8-4-13-7(3-14-8)5-15(1-2-16)6-9(11)12/h3-4,9,16H,1-2,5-6H2.
What are the key properties of 2-[(5-chloropyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol?
2-[(5-chloropyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 251.66 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107479150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).