(5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone

C11H4BrClF3NOS — CID 106971907

IUPAC(5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(Br)s1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C11H4BrClF3NOS/c12-8-4-2-6(19-8)9(18)5-1-3-7(11(14,15)16)17-10(5)13/h1-4H
InChIKeyXTGSYPDYLDUEBR-UHFFFAOYSA-N
MW370.58 g/mol
LogP4.81
Rot. Bonds2

About (5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone

(5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 106971907) has the molecular formula C11H4BrClF3NOS and a molecular weight of 370.58 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID106971907
Molecular FormulaC11H4BrClF3NOS
Molecular Weight370.58 g/mol
Exact Mass368.88
IUPAC Name(5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(Br)s1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C11H4BrClF3NOS/c12-8-4-2-6(19-8)9(18)5-1-3-7(11(14,15)16)17-10(5)13/h1-4H
InChIKeyXTGSYPDYLDUEBR-UHFFFAOYSA-N
XLogP4.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.58
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone
CID 106971855
(5-bromothiophen-3-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971886
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 106971859
2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 53256666
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone
CID 106971800
(3-bromo-4-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 107996916
(2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971760
(5-bromo-3-pyridinyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971979
2-chloro-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 53416731
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone
CID 106971906
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111
(5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 61103389

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone (CID 106971907) is (5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(Br)s1)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of (5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is XTGSYPDYLDUEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrClF3NOS/c12-8-4-2-6(19-8)9(18)5-1-3-7(11(14,15)16)17-10(5)13/h1-4H.
What are the key properties of (5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone?
(5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 370.58 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 106971907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).