2-[(6-amino-3-chloro-2-pyridinyl)methyl-(2,2-difluoroethyl)amino]ethanol

C10H14ClF2N3O — CID 107486199

IUPAC2-[(6-amino-3-chloro-2-pyridinyl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESNc1ccc(Cl)c(CN(CCO)CC(F)F)n1
InChIInChI=1S/C10H14ClF2N3O/c11-7-1-2-10(14)15-8(7)5-16(3-4-17)6-9(12)13/h1-2,9,17H,3-6H2,(H2,14,15)
InChIKeyQMHURWBWRWVRSQ-UHFFFAOYSA-N
MW265.69 g/mol
LogP1.38
Rot. Bonds6

About 2-[(6-amino-3-chloro-2-pyridinyl)methyl-(2,2-difluoroethyl)amino]ethanol

2-[(6-amino-3-chloro-2-pyridinyl)methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107486199) has the molecular formula C10H14ClF2N3O and a molecular weight of 265.69 g/mol. Its IUPAC name is 2-[(6-amino-3-chloro-2-pyridinyl)methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-3-chloro-2-pyridinyl)methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107486199
Molecular FormulaC10H14ClF2N3O
Molecular Weight265.69 g/mol
Exact Mass265.08
IUPAC Name2-[(6-amino-3-chloro-2-pyridinyl)methyl-(2,2-difluoroethyl)amino]ethanol
SMILESNc1ccc(Cl)c(CN(CCO)CC(F)F)n1
InChIInChI=1S/C10H14ClF2N3O/c11-7-1-2-10(14)15-8(7)5-16(3-4-17)6-9(12)13/h1-2,9,17H,3-6H2,(H2,14,15)
InChIKeyQMHURWBWRWVRSQ-UHFFFAOYSA-N
XLogP1.38
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.69
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-(2,2-difluoroethyl)amino]ethanol (CID 107486199) is 2-[(6-amino-3-chloro-2-pyridinyl)methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-(2,2-difluoroethyl)amino]ethanol is Nc1ccc(Cl)c(CN(CCO)CC(F)F)n1.
What is the InChIKey of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is QMHURWBWRWVRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF2N3O/c11-7-1-2-10(14)15-8(7)5-16(3-4-17)6-9(12)13/h1-2,9,17H,3-6H2,(H2,14,15).
What are the key properties of 2-[(6-amino-3-chloro-2-pyridinyl)methyl-(2,2-difluoroethyl)amino]ethanol?
2-[(6-amino-3-chloro-2-pyridinyl)methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 265.69 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-chloro-2-pyridinyl)methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107486199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).