2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone

C14H10BrF2NO2 — CID 106267638

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone
SMILESCOc1cnccc1C(=O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H10BrF2NO2/c1-20-13-7-18-5-4-8(13)12(19)6-9-11(16)3-2-10(15)14(9)17/h2-5,7H,6H2,1H3
InChIKeyUTDHLKQCBYRRRE-UHFFFAOYSA-N
MW342.14 g/mol
LogP3.56
Rot. Bonds4

About 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone

2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone (PubChem CID 106267638) has the molecular formula C14H10BrF2NO2 and a molecular weight of 342.14 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone
PubChem CID106267638
Molecular FormulaC14H10BrF2NO2
Molecular Weight342.14 g/mol
Exact Mass340.99
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone
SMILESCOc1cnccc1C(=O)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H10BrF2NO2/c1-20-13-7-18-5-4-8(13)12(19)6-9-11(16)3-2-10(15)14(9)17/h2-5,7H,6H2,1H3
InChIKeyUTDHLKQCBYRRRE-UHFFFAOYSA-N
XLogP3.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.14
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 106266339
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 105065080
2-(3-bromo-2,6-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 106266357
2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 103042865
2-(3-bromo-2,6-difluorophenyl)-1-(1,3-thiazol-5-yl)ethanone
CID 106266192
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106267622
2-(3-bromo-2,6-difluorophenyl)-1-(2,4-difluorophenyl)ethanone
CID 106266059
2-(3-bromo-2,6-difluorophenyl)-1-(2-chlorofuran-3-yl)ethanone
CID 106267777
2-(3-bromo-2,6-difluorophenyl)-1-(thiadiazol-5-yl)ethanone
CID 106267390
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 106267787
1-(5-amino-2-bromophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272753
1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone
CID 105064886

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone (CID 106267638) is 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone is COc1cnccc1C(=O)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone?
The InChIKey is UTDHLKQCBYRRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO2/c1-20-13-7-18-5-4-8(13)12(19)6-9-11(16)3-2-10(15)14(9)17/h2-5,7H,6H2,1H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone?
2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone has a molecular weight of 342.14 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone is sourced from PubChem (CID 106267638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).