2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone

C14H10BrClFNO2 — CID 90061824

IUPAC2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone
SMILESCOc1ccc(C(=O)CBr)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10BrClFNO2/c1-20-13-5-4-11(12(19)7-15)18-14(13)8-2-3-10(17)9(16)6-8/h2-6H,7H2,1H3
InChIKeyZXUGTHONCLOMKF-UHFFFAOYSA-N
MW358.59 g/mol
LogP4.13
Rot. Bonds4

About 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone

2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone (PubChem CID 90061824) has the molecular formula C14H10BrClFNO2 and a molecular weight of 358.59 g/mol. Its IUPAC name is 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone
PubChem CID90061824
Molecular FormulaC14H10BrClFNO2
Molecular Weight358.59 g/mol
Exact Mass356.96
IUPAC Name2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone
SMILESCOc1ccc(C(=O)CBr)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10BrClFNO2/c1-20-13-5-4-11(12(19)7-15)18-14(13)8-2-3-10(17)9(16)6-8/h2-6H,7H2,1H3
InChIKeyZXUGTHONCLOMKF-UHFFFAOYSA-N
XLogP4.13
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.59
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone?
The IUPAC name of 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone (CID 90061824) is 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone.
What is the SMILES notation for 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone?
The canonical SMILES for 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone is COc1ccc(C(=O)CBr)nc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone?
The InChIKey is ZXUGTHONCLOMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClFNO2/c1-20-13-5-4-11(12(19)7-15)18-14(13)8-2-3-10(17)9(16)6-8/h2-6H,7H2,1H3.
What are the key properties of 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone?
2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone has a molecular weight of 358.59 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethanone is sourced from PubChem (CID 90061824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).