4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol

C23H23BrClN3O2 — CID 137306843

IUPAC4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol
SMILESOc1ccc(Br)cc1-c1cc(-c2ccccc2Cl)cc(NCCN2CCOCC2)n1
InChIInChI=1S/C23H23BrClN3O2/c24-17-5-6-22(29)19(15-17)21-13-16(18-3-1-2-4-20(18)25)14-23(27-21)26-7-8-28-9-11-30-12-10-28/h1-6,13-15,29H,7-12H2,(H,26,27)
InChIKeyVSRCBIVIZSNAQL-UHFFFAOYSA-N
MW488.81 g/mol
LogP5.28
Rot. Bonds6

About 4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol

4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol (PubChem CID 137306843) has the molecular formula C23H23BrClN3O2 and a molecular weight of 488.81 g/mol. Its IUPAC name is 4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol
PubChem CID137306843
Molecular FormulaC23H23BrClN3O2
Molecular Weight488.81 g/mol
Exact Mass487.07
IUPAC Name4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol
SMILESOc1ccc(Br)cc1-c1cc(-c2ccccc2Cl)cc(NCCN2CCOCC2)n1
InChIInChI=1S/C23H23BrClN3O2/c24-17-5-6-22(29)19(15-17)21-13-16(18-3-1-2-4-20(18)25)14-23(27-21)26-7-8-28-9-11-30-12-10-28/h1-6,13-15,29H,7-12H2,(H,26,27)
InChIKeyVSRCBIVIZSNAQL-UHFFFAOYSA-N
XLogP5.28
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.81
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-chloro-6-fluorophenyl)-6-(3-morpholin-4-ylpropylamino)-2-pyridinyl]phenol
CID 137306796
4-bromo-2-[4-(2-chlorophenyl)-6-pyrrolidin-1-yl-2-pyridinyl]phenol
CID 137306828
2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol
CID 135433099
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 3234098
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
4-[[4-(1,3-benzodioxol-4-yl)-6-(5-bromo-2-hydroxyphenyl)-2-pyridinyl]amino]butanoic acid
CID 137290777
2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol
CID 3565841
5-bromo-2-hydroxy-N-(2-morpholin-4-ylethyl)benzamide
CID 47100697
5-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 1093869
4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]phenol
CID 137290748
4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932516
4-bromo-2-[4-(2,3-difluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol
CID 137307230

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol?
The IUPAC name of 4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol (CID 137306843) is 4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol.
What is the SMILES notation for 4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol?
The canonical SMILES for 4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol is Oc1ccc(Br)cc1-c1cc(-c2ccccc2Cl)cc(NCCN2CCOCC2)n1.
What is the InChIKey of 4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol?
The InChIKey is VSRCBIVIZSNAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrClN3O2/c24-17-5-6-22(29)19(15-17)21-13-16(18-3-1-2-4-20(18)25)14-23(27-21)26-7-8-28-9-11-30-12-10-28/h1-6,13-15,29H,7-12H2,(H,26,27).
What are the key properties of 4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol?
4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol has a molecular weight of 488.81 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[4-(2-chlorophenyl)-6-(2-morpholin-4-ylethylamino)-2-pyridinyl]phenol is sourced from PubChem (CID 137306843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).