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

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Related Compounds

2-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl]propane-1,3-diol
CID 79447250
1-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)propan-2-ol
CID 113454857
2-(aminomethyl)-3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507097
1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine
CID 113455020
5-bromo-2-[(2-chlorophenyl)methoxymethyl]pyridine
CID 104809681
2-(2-bromophenyl)-2-[(2,3-dichlorophenyl)methyl]propane-1,3-diol
CID 107310880
N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline
CID 65467806
2-amino-2-(2-chlorophenyl)propan-1-ol
CID 54776181
5-bromo-2-[3-chloro-2-(chloromethyl)-2-(4-methylphenyl)propyl]pyridine
CID 104813484
1,1-bis(2-chlorophenyl)ethane-1,2-diol
CID 71341574
2-(2-chlorophenyl)-2-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diol
CID 103018870
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832657

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).