2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol

C9H11BrF2N2O — CID 107484125

IUPAC2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(CC(F)F)c1ccncc1Br
InChIInChI=1S/C9H11BrF2N2O/c10-7-5-13-2-1-8(7)14(3-4-15)6-9(11)12/h1-2,5,9,15H,3-4,6H2
InChIKeyDBOJZVJYEWMVNQ-UHFFFAOYSA-N
MW281.10 g/mol
LogP1.91
Rot. Bonds5

About 2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol

2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107484125) has the molecular formula C9H11BrF2N2O and a molecular weight of 281.10 g/mol. Its IUPAC name is 2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107484125
Molecular FormulaC9H11BrF2N2O
Molecular Weight281.10 g/mol
Exact Mass280.00
IUPAC Name2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(CC(F)F)c1ccncc1Br
InChIInChI=1S/C9H11BrF2N2O/c10-7-5-13-2-1-8(7)14(3-4-15)6-9(11)12/h1-2,5,9,15H,3-4,6H2
InChIKeyDBOJZVJYEWMVNQ-UHFFFAOYSA-N
XLogP1.91
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine
CID 107490053
2-[(3-bromo-4-pyridinyl)-propan-2-ylamino]ethanol
CID 104777752
N'-(3-bromo-4-pyridinyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 104779291
2-[2-(aminomethyl)-3-bromo-N-(2,2-difluoroethyl)anilino]ethanol
CID 107478448
3-[(3-bromo-4-pyridinyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 113451993
2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol
CID 113452105
2-[(3-amino-4-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 61245195
3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine
CID 104779492
1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone
CID 107480460
2-[(3-bromo-4-pyridinyl)-propylamino]acetic acid
CID 120965017
2-[2,2-difluoroethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107481030
2-[2,2-difluoroethyl-[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107484642

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol (CID 107484125) is 2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol is OCCN(CC(F)F)c1ccncc1Br.
What is the InChIKey of 2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is DBOJZVJYEWMVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF2N2O/c10-7-5-13-2-1-8(7)14(3-4-15)6-9(11)12/h1-2,5,9,15H,3-4,6H2.
What are the key properties of 2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol?
2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 281.10 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107484125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).