1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol

C14H13BrClNO2 — CID 105126126

IUPAC1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol
SMILESOC(COc1ccc(Cl)cc1)Cc1ccc(Br)cn1
InChIInChI=1S/C14H13BrClNO2/c15-10-1-4-12(17-8-10)7-13(18)9-19-14-5-2-11(16)3-6-14/h1-6,8,13,18H,7,9H2
InChIKeyDOLLXMMYSRNLGT-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.48
Rot. Bonds5

About 1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol

1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol (PubChem CID 105126126) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol
PubChem CID105126126
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC Name1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol
SMILESOC(COc1ccc(Cl)cc1)Cc1ccc(Br)cn1
InChIInChI=1S/C14H13BrClNO2/c15-10-1-4-12(17-8-10)7-13(18)9-19-14-5-2-11(16)3-6-14/h1-6,8,13,18H,7,9H2
InChIKeyDOLLXMMYSRNLGT-UHFFFAOYSA-N
XLogP3.48
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105126618
2-(5-bromo-2-pyridinyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 104800394
1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol
CID 105126245
1-(4-chlorophenoxy)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 105123232
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine
CID 104801822
1-(4-chlorophenoxy)-3-(4-methylphenyl)propan-2-ol
CID 105077329
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol
CID 104799944
[3-(4-chlorophenoxy)-2-hydroxypropyl]-propan-2-ylazanium
CID 4751881
1-(4-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105132914
1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol
CID 105079601
1-(5-bromo-2-chloroanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 63490723

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol (CID 105126126) is 1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol is OC(COc1ccc(Cl)cc1)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol?
The InChIKey is DOLLXMMYSRNLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c15-10-1-4-12(17-8-10)7-13(18)9-19-14-5-2-11(16)3-6-14/h1-6,8,13,18H,7,9H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol?
1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol has a molecular weight of 342.62 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol is sourced from PubChem (CID 105126126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).