[3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone

C13H8BrF2NO2 — CID 118825202

IUPAC[3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cccc(Br)c1OC(F)F
InChIInChI=1S/C13H8BrF2NO2/c14-9-5-3-4-8(12(9)19-13(15)16)11(18)10-6-1-2-7-17-10/h1-7,13H
InChIKeyZNNYHLODZSBXNQ-UHFFFAOYSA-N
MW328.11 g/mol
LogP3.68
Rot. Bonds4

About [3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone

[3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone (PubChem CID 118825202) has the molecular formula C13H8BrF2NO2 and a molecular weight of 328.11 g/mol. Its IUPAC name is [3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
PubChem CID118825202
Molecular FormulaC13H8BrF2NO2
Molecular Weight328.11 g/mol
Exact Mass326.97
IUPAC Name[3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cccc(Br)c1OC(F)F
InChIInChI=1S/C13H8BrF2NO2/c14-9-5-3-4-8(12(9)19-13(15)16)11(18)10-6-1-2-7-17-10/h1-7,13H
InChIKeyZNNYHLODZSBXNQ-UHFFFAOYSA-N
XLogP3.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(difluoromethoxy)-3-methylphenyl]-pyridin-2-ylmethanone
CID 118836198
[3-chloro-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118847905
[2-chloro-3-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118825090
(3-bromo-2-methylphenyl)-pyridin-2-ylmethanone
CID 118836322
1-[3-bromo-2-(difluoromethoxy)phenyl]ethanone
CID 171027893
1-[3-bromo-2-(difluoromethoxy)phenyl]-2-chloropropan-1-one
CID 134625182
[4-amino-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone
CID 118802816
[2-(difluoromethoxy)-5-methylphenyl]-pyridin-2-ylmethanone
CID 118836241
(3-amino-2-methoxyphenyl)-pyridin-2-ylmethanone
CID 118853196
[2-(difluoromethoxy)-4-methoxyphenyl]-pyridin-2-ylmethanone
CID 118819250
[5-bromo-2-(difluoromethyl)phenyl]-pyridin-2-ylmethanone
CID 134617165
N'-(2-bromobenzoyl)pyridine-2-carbohydrazide
CID 26533733

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone?
The IUPAC name of [3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone (CID 118825202) is [3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone is O=C(c1ccccn1)c1cccc(Br)c1OC(F)F.
What is the InChIKey of [3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone?
The InChIKey is ZNNYHLODZSBXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2NO2/c14-9-5-3-4-8(12(9)19-13(15)16)11(18)10-6-1-2-7-17-10/h1-7,13H.
What are the key properties of [3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone?
[3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone has a molecular weight of 328.11 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-(difluoromethoxy)phenyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 118825202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).