2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol

C13H12BrClN2O — CID 113234114

IUPAC2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol
SMILESOC(CNc1cncc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12BrClN2O/c14-10-5-12(7-16-6-10)17-8-13(18)9-1-3-11(15)4-2-9/h1-7,13,17-18H,8H2
InChIKeyWUQHLRLWUREBOF-UHFFFAOYSA-N
MW327.61 g/mol
LogP3.64
Rot. Bonds4

About 2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol

2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol (PubChem CID 113234114) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol
PubChem CID113234114
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol
SMILESOC(CNc1cncc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12BrClN2O/c14-10-5-12(7-16-6-10)17-8-13(18)9-1-3-11(15)4-2-9/h1-7,13,17-18H,8H2
InChIKeyWUQHLRLWUREBOF-UHFFFAOYSA-N
XLogP3.64
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxylic acid
CID 82535163
2-(3-bromoanilino)-1-(4-chlorophenyl)ethanol
CID 60724934
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
CID 104799790
1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
CID 60724810
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
2-(4-bromo-3-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724940
2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide
CID 90041202
1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol
CID 103702829
2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetonitrile
CID 90041010
3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol
CID 115657175
2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
2-(4-bromoanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 63487797

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol (CID 113234114) is 2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol is OC(CNc1cncc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol?
The InChIKey is WUQHLRLWUREBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c14-10-5-12(7-16-6-10)17-8-13(18)9-1-3-11(15)4-2-9/h1-7,13,17-18H,8H2.
What are the key properties of 2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol?
2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol has a molecular weight of 327.61 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol is sourced from PubChem (CID 113234114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).