[4-bromo-6-(dibromomethyl)-3-pyridinyl]-(4-chlorophenyl)methanone

C13H7Br3ClNO — CID 139484983

IUPAC[4-bromo-6-(dibromomethyl)-3-pyridinyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cnc(C(Br)Br)cc1Br
InChIInChI=1S/C13H7Br3ClNO/c14-10-5-11(13(15)16)18-6-9(10)12(19)7-1-3-8(17)4-2-7/h1-6,13H
InChIKeyQJFMZNFNCKSUPP-UHFFFAOYSA-N
MW468.37 g/mol
LogP5.52
Rot. Bonds3

About [4-bromo-6-(dibromomethyl)-3-pyridinyl]-(4-chlorophenyl)methanone

[4-bromo-6-(dibromomethyl)-3-pyridinyl]-(4-chlorophenyl)methanone (PubChem CID 139484983) has the molecular formula C13H7Br3ClNO and a molecular weight of 468.37 g/mol. Its IUPAC name is [4-bromo-6-(dibromomethyl)-3-pyridinyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-bromo-6-(dibromomethyl)-3-pyridinyl]-(4-chlorophenyl)methanone
PubChem CID139484983
Molecular FormulaC13H7Br3ClNO
Molecular Weight468.37 g/mol
Exact Mass464.78
IUPAC Name[4-bromo-6-(dibromomethyl)-3-pyridinyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cnc(C(Br)Br)cc1Br
InChIInChI=1S/C13H7Br3ClNO/c14-10-5-11(13(15)16)18-6-9(10)12(19)7-1-3-8(17)4-2-7/h1-6,13H
InChIKeyQJFMZNFNCKSUPP-UHFFFAOYSA-N
XLogP5.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.37
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-bromo-4-(dibromomethyl)phenyl]-(4-chlorophenyl)methanone
CID 134514418
[2-bromo-4-(1-bromoethyl)phenyl]-(4-chlorophenyl)methanone
CID 139493893
(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
CID 105398339
(4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 43344984
4-chloro-3-(4-chlorobenzoyl)benzoyl bromide
CID 87246560
(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
CID 15918246
(2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone
CID 68537792
(4-chlorophenyl)-(2-chloro-3-pyridinyl)methanone
CID 15135631
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone
CID 103394161
(4-chlorophenyl)-(2,4-dimethoxypyrimidin-5-yl)methanone
CID 102421117
(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107987119
1-bromo-4-chloro-2-(4-chlorobenzoyl)-5-[1-(sulfinoamino)ethyl]benzene
CID 139484932

Frequently Asked Questions

What is the IUPAC name of [4-bromo-6-(dibromomethyl)-3-pyridinyl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-bromo-6-(dibromomethyl)-3-pyridinyl]-(4-chlorophenyl)methanone (CID 139484983) is [4-bromo-6-(dibromomethyl)-3-pyridinyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-bromo-6-(dibromomethyl)-3-pyridinyl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-bromo-6-(dibromomethyl)-3-pyridinyl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1cnc(C(Br)Br)cc1Br.
What is the InChIKey of [4-bromo-6-(dibromomethyl)-3-pyridinyl]-(4-chlorophenyl)methanone?
The InChIKey is QJFMZNFNCKSUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br3ClNO/c14-10-5-11(13(15)16)18-6-9(10)12(19)7-1-3-8(17)4-2-7/h1-6,13H.
What are the key properties of [4-bromo-6-(dibromomethyl)-3-pyridinyl]-(4-chlorophenyl)methanone?
[4-bromo-6-(dibromomethyl)-3-pyridinyl]-(4-chlorophenyl)methanone has a molecular weight of 468.37 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-6-(dibromomethyl)-3-pyridinyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 139484983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).