4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol

C13H13BrN2O — CID 115682875

IUPAC4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol
SMILESOc1ccc(CCNc2cncc(Br)c2)cc1
InChIInChI=1S/C13H13BrN2O/c14-11-7-12(9-15-8-11)16-6-5-10-1-3-13(17)4-2-10/h1-4,7-9,16-17H,5-6H2
InChIKeyKLTMIQXMIYCPIF-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.20
Rot. Bonds4

About 4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol

4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol (PubChem CID 115682875) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol
PubChem CID115682875
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol
SMILESOc1ccc(CCNc2cncc(Br)c2)cc1
InChIInChI=1S/C13H13BrN2O/c14-11-7-12(9-15-8-11)16-6-5-10-1-3-13(17)4-2-10/h1-4,7-9,16-17H,5-6H2
InChIKeyKLTMIQXMIYCPIF-UHFFFAOYSA-N
XLogP3.20
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-5-bromopyridin-3-amine
CID 114194215
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
3-bromo-5-[2-(4-hydroxyphenyl)ethylamino]benzonitrile
CID 102815529
4-[2-(3,5-dimethylanilino)ethyl]phenol
CID 170698256
5-[(5-bromo-3-pyridinyl)amino]pentan-1-ol
CID 107302585
5-bromo-N-hexylpyridin-3-amine
CID 115656852
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]pyridin-3-amine
CID 59777379
N-(4-bromophenyl)-5-(2-phenylethylamino)pyridine-3-carboxamide
CID 109235964
2-bromo-4-[2-(4-hydroxyphenyl)ethylamino]benzenecarbothioamide
CID 107277438
5-bromo-N-(pyrimidin-5-ylmethyl)pyridin-3-amine
CID 115770593
2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride
CID 131877177
5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine
CID 166866277

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol (CID 115682875) is 4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol is Oc1ccc(CCNc2cncc(Br)c2)cc1.
What is the InChIKey of 4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol?
The InChIKey is KLTMIQXMIYCPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-11-7-12(9-15-8-11)16-6-5-10-1-3-13(17)4-2-10/h1-4,7-9,16-17H,5-6H2.
What are the key properties of 4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol?
4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol has a molecular weight of 293.16 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-bromo-3-pyridinyl)amino]ethyl]phenol is sourced from PubChem (CID 115682875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).