(3,5-dibromophenyl)-pyridin-4-ylmethanone

C12H7Br2NO — CID 19711365

IUPAC(3,5-dibromophenyl)-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H7Br2NO/c13-10-5-9(6-11(14)7-10)12(16)8-1-3-15-4-2-8/h1-7H
InChIKeyLNTWHTJHYYYWRP-UHFFFAOYSA-N
MW341.00 g/mol
LogP3.84
Rot. Bonds2

About (3,5-dibromophenyl)-pyridin-4-ylmethanone

(3,5-dibromophenyl)-pyridin-4-ylmethanone (PubChem CID 19711365) has the molecular formula C12H7Br2NO and a molecular weight of 341.00 g/mol. Its IUPAC name is (3,5-dibromophenyl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(3,5-dibromophenyl)-pyridin-4-ylmethanone
PubChem CID19711365
Molecular FormulaC12H7Br2NO
Molecular Weight341.00 g/mol
Exact Mass338.89
IUPAC Name(3,5-dibromophenyl)-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H7Br2NO/c13-10-5-9(6-11(14)7-10)12(16)8-1-3-15-4-2-8/h1-7H
InChIKeyLNTWHTJHYYYWRP-UHFFFAOYSA-N
XLogP3.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.00
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,5-dibromophenyl)-pyridin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(3,5-dipyridin-4-ylphenyl)methanone
CID 58240129
(3,5-dibromophenyl)-(6-methyl-3-pyridinyl)methanone
CID 107976815
2,3-dihydroxybutanedioic acid;dipyridin-4-ylmethanone
CID 162307766
(5-bromo-1H-pyrrol-2-yl)-(3,5-dibromophenyl)methanone
CID 68535238
3-(pyridine-4-carbonyl)benzoic acid
CID 82115219
(3-amino-5-bromophenyl)-pyridin-3-ylmethanone
CID 50994432
bis(5-bromo-3-pyridinyl)methanone
CID 150630113
[3-bromo-5-(3,5-dihydroxybenzoyl)phenyl]-(3,5-dihydroxyphenyl)methanone
CID 86088620
4-[[3-bromo-5-[diazo(pyridin-4-yl)methyl]phenyl]-diazomethyl]pyridine
CID 102016786
tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium
CID 4004269
2,3-dihydroxy-5-(pyridine-4-carbonyl)benzamide
CID 141115220
[3-amino-4-(pyridine-4-carbonyl)phenyl]-pyridin-4-ylmethanone
CID 176900459

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-pyridin-4-ylmethanone?
The IUPAC name of (3,5-dibromophenyl)-pyridin-4-ylmethanone (CID 19711365) is (3,5-dibromophenyl)-pyridin-4-ylmethanone.
What is the SMILES notation for (3,5-dibromophenyl)-pyridin-4-ylmethanone?
The canonical SMILES for (3,5-dibromophenyl)-pyridin-4-ylmethanone is O=C(c1ccncc1)c1cc(Br)cc(Br)c1.
What is the InChIKey of (3,5-dibromophenyl)-pyridin-4-ylmethanone?
The InChIKey is LNTWHTJHYYYWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2NO/c13-10-5-9(6-11(14)7-10)12(16)8-1-3-15-4-2-8/h1-7H.
What are the key properties of (3,5-dibromophenyl)-pyridin-4-ylmethanone?
(3,5-dibromophenyl)-pyridin-4-ylmethanone has a molecular weight of 341.00 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-pyridin-4-ylmethanone is sourced from PubChem (CID 19711365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).