[3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone

C13H8BrF2NO — CID 134621771

IUPAC[3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(Br)cc(C(F)F)c1
InChIInChI=1S/C13H8BrF2NO/c14-11-5-9(4-10(6-11)13(15)16)12(18)8-2-1-3-17-7-8/h1-7,13H
InChIKeyQUXXJYMPGWRJSE-UHFFFAOYSA-N
MW312.11 g/mol
LogP4.01
Rot. Bonds3

About [3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone

[3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone (PubChem CID 134621771) has the molecular formula C13H8BrF2NO and a molecular weight of 312.11 g/mol. Its IUPAC name is [3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
PubChem CID134621771
Molecular FormulaC13H8BrF2NO
Molecular Weight312.11 g/mol
Exact Mass310.98
IUPAC Name[3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cc(Br)cc(C(F)F)c1
InChIInChI=1S/C13H8BrF2NO/c14-11-5-9(4-10(6-11)13(15)16)12(18)8-2-1-3-17-7-8/h1-7,13H
InChIKeyQUXXJYMPGWRJSE-UHFFFAOYSA-N
XLogP4.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-5-bromophenyl)-pyridin-3-ylmethanone
CID 50994432
(3-bromophenyl)-pyridin-3-ylmethanone
CID 12930026
[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 114963185
(2,5-dibromophenyl)-pyridin-3-ylmethanone
CID 112694374
(4-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
(5-bromo-2-pyridinyl)-pyridin-3-ylmethanone
CID 86696896
[4-chloro-2-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134622134
[3-fluoro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134621945
(3,5-dibromophenyl)-pyridin-4-ylmethanone
CID 19711365
(3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone
CID 106941643
[2-(difluoromethyl)-5-methoxyphenyl]-pyridin-3-ylmethanone
CID 134621203
(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone
CID 106754556

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone?
The IUPAC name of [3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone (CID 134621771) is [3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone is O=C(c1cccnc1)c1cc(Br)cc(C(F)F)c1.
What is the InChIKey of [3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone?
The InChIKey is QUXXJYMPGWRJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2NO/c14-11-5-9(4-10(6-11)13(15)16)12(18)8-2-1-3-17-7-8/h1-7,13H.
What are the key properties of [3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone?
[3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone has a molecular weight of 312.11 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 134621771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).