2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol

C13H12BrFN2O — CID 81447980

IUPAC2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol
SMILESNc1ncccc1CC(O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H12BrFN2O/c14-10-4-3-8(6-11(10)15)12(18)7-9-2-1-5-17-13(9)16/h1-6,12,18H,7H2,(H2,16,17)
InChIKeySSSTWUNTMKUKIG-UHFFFAOYSA-N
MW311.15 g/mol
LogP2.84
Rot. Bonds3

About 2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol

2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol (PubChem CID 81447980) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol
PubChem CID81447980
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol
SMILESNc1ncccc1CC(O)c1ccc(Br)c(F)c1
InChIInChI=1S/C13H12BrFN2O/c14-10-4-3-8(6-11(10)15)12(18)7-9-2-1-5-17-13(9)16/h1-6,12,18H,7H2,(H2,16,17)
InChIKeySSSTWUNTMKUKIG-UHFFFAOYSA-N
XLogP2.84
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.15
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-3-pyridinyl)-1-(3-bromo-5-fluorophenyl)ethanol
CID 66425032
(2-amino-3-pyridinyl)-(4-bromo-3-fluorophenyl)methanol
CID 81436370
1-(4-bromo-3-fluorophenyl)-2-(2-chlorophenyl)ethanol
CID 55151202
3-[2-amino-2-(3-bromo-4-fluorophenyl)ethyl]pyridin-2-amine
CID 82809422
1-(4-bromo-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102856976
1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol
CID 82684971
3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 82809316
2-(2-amino-3-pyridinyl)-1-(3-bromothiophen-2-yl)ethanol
CID 115380906
1-(4-bromo-3-fluorophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 81447982
2-(2-bromophenyl)-1-(4-chloro-3-fluorophenyl)ethanol
CID 63895535
2-(2-bromophenyl)-1-quinolin-7-ylethanol
CID 81220436
1-(3-bromo-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanol
CID 65148052

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol?
The IUPAC name of 2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol (CID 81447980) is 2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol is Nc1ncccc1CC(O)c1ccc(Br)c(F)c1.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol?
The InChIKey is SSSTWUNTMKUKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c14-10-4-3-8(6-11(10)15)12(18)7-9-2-1-5-17-13(9)16/h1-6,12,18H,7H2,(H2,16,17).
What are the key properties of 2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol?
2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol has a molecular weight of 311.15 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol is sourced from PubChem (CID 81447980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).