2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol

C15H15BrClNO2 — CID 104813454

IUPAC2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol
SMILESOCC(CO)(Cc1ccc(Br)cn1)c1ccccc1Cl
InChIInChI=1S/C15H15BrClNO2/c16-11-5-6-12(18-8-11)7-15(9-19,10-20)13-3-1-2-4-14(13)17/h1-6,8,19-20H,7,9-10H2
InChIKeyRYTYXBWNKJXBJA-UHFFFAOYSA-N
MW356.65 g/mol
LogP2.96
Rot. Bonds5

About 2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol

2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol (PubChem CID 104813454) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol
PubChem CID104813454
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol
SMILESOCC(CO)(Cc1ccc(Br)cn1)c1ccccc1Cl
InChIInChI=1S/C15H15BrClNO2/c16-11-5-6-12(18-8-11)7-15(9-19,10-20)13-3-1-2-4-14(13)17/h1-6,8,19-20H,7,9-10H2
InChIKeyRYTYXBWNKJXBJA-UHFFFAOYSA-N
XLogP2.96
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol (CID 104813454) is 2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol is OCC(CO)(Cc1ccc(Br)cn1)c1ccccc1Cl.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol?
The InChIKey is RYTYXBWNKJXBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c16-11-5-6-12(18-8-11)7-15(9-19,10-20)13-3-1-2-4-14(13)17/h1-6,8,19-20H,7,9-10H2.
What are the key properties of 2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol?
2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol has a molecular weight of 356.65 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)propane-1,3-diol is sourced from PubChem (CID 104813454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).