[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone

C13H5Br2ClF3NO — CID 106971800

IUPAC[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone
SMILESO=C(c1cc(Br)ccc1Br)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H5Br2ClF3NO/c14-6-1-3-9(15)8(5-6)11(21)7-2-4-10(13(17,18)19)20-12(7)16/h1-5H
InChIKeyHXPGIMSHEWXMEI-UHFFFAOYSA-N
MW443.44 g/mol
LogP5.51
Rot. Bonds2

About [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone (PubChem CID 106971800) has the molecular formula C13H5Br2ClF3NO and a molecular weight of 443.44 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone
PubChem CID106971800
Molecular FormulaC13H5Br2ClF3NO
Molecular Weight443.44 g/mol
Exact Mass440.84
IUPAC Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone
SMILESO=C(c1cc(Br)ccc1Br)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H5Br2ClF3NO/c14-6-1-3-9(15)8(5-6)11(21)7-2-4-10(13(17,18)19)20-12(7)16/h1-5H
InChIKeyHXPGIMSHEWXMEI-UHFFFAOYSA-N
XLogP5.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.44
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971760
(3-bromo-4-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 107996916
(5-bromo-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971979
2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 53256666
(5-bromothiophen-3-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971886
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone
CID 106971906
(5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971907
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol
CID 106972099
2-chloro-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 53416731
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-methylfuran-3-yl)methanone
CID 106971961
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 106971848

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone?
The IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone (CID 106971800) is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone is O=C(c1cc(Br)ccc1Br)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone?
The InChIKey is HXPGIMSHEWXMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Br2ClF3NO/c14-6-1-3-9(15)8(5-6)11(21)7-2-4-10(13(17,18)19)20-12(7)16/h1-5H.
What are the key properties of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone?
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone has a molecular weight of 443.44 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone is sourced from PubChem (CID 106971800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).