2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol

C13H12BrFN2O — CID 114885790

IUPAC2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol
SMILESNc1cc(CC(O)c2c(F)cccc2Br)ccn1
InChIInChI=1S/C13H12BrFN2O/c14-9-2-1-3-10(15)13(9)11(18)6-8-4-5-17-12(16)7-8/h1-5,7,11,18H,6H2,(H2,16,17)
InChIKeyXVRKUABOMCKBBO-UHFFFAOYSA-N
MW311.15 g/mol
LogP2.84
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol

2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol (PubChem CID 114885790) has the molecular formula C13H12BrFN2O and a molecular weight of 311.15 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol
PubChem CID114885790
Molecular FormulaC13H12BrFN2O
Molecular Weight311.15 g/mol
Exact Mass310.01
IUPAC Name2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol
SMILESNc1cc(CC(O)c2c(F)cccc2Br)ccn1
InChIInChI=1S/C13H12BrFN2O/c14-9-2-1-3-10(15)13(9)11(18)6-8-4-5-17-12(16)7-8/h1-5,7,11,18H,6H2,(H2,16,17)
InChIKeyXVRKUABOMCKBBO-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

4-[2-(2-bromo-6-fluorophenyl)-2-hydrazinylethyl]pyridin-2-amine
CID 105280408
2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712763
1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 114885678
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885692
1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114561348
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103048373
3-(2-amino-4-pyridinyl)-1,1-difluoropropan-2-ol
CID 112575631
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
2-(2-amino-4-pyridinyl)-1-(2-chloro-6-methoxyphenyl)ethanol
CID 104817206
1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107048204
4-[2-amino-2-(5-bromo-2-fluorophenyl)ethyl]pyridin-2-amine
CID 114894593
1-(2-bromo-6-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102857500

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol (CID 114885790) is 2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol is Nc1cc(CC(O)c2c(F)cccc2Br)ccn1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol?
The InChIKey is XVRKUABOMCKBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O/c14-9-2-1-3-10(15)13(9)11(18)6-8-4-5-17-12(16)7-8/h1-5,7,11,18H,6H2,(H2,16,17).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol?
2-(2-amino-4-pyridinyl)-1-(2-bromo-6-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-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol is sourced from PubChem (CID 114885790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).