2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride

C13H5Cl3F3NO — CID 19068751

IUPAC2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride
SMILESO=C(Cl)c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C13H5Cl3F3NO/c14-9-2-1-6(3-8(9)12(16)21)11-10(15)4-7(5-20-11)13(17,18)19/h1-5H
InChIKeyGPNRWQFWWCNJMR-UHFFFAOYSA-N
MW354.54 g/mol
LogP5.45
Rot. Bonds2

About 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride

2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride (PubChem CID 19068751) has the molecular formula C13H5Cl3F3NO and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride.

Molecular Properties

Compound Name2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride
PubChem CID19068751
Molecular FormulaC13H5Cl3F3NO
Molecular Weight354.54 g/mol
Exact Mass352.94
IUPAC Name2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride
SMILESO=C(Cl)c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C13H5Cl3F3NO/c14-9-2-1-6(3-8(9)12(16)21)11-10(15)4-7(5-20-11)13(17,18)19/h1-5H
InChIKeyGPNRWQFWWCNJMR-UHFFFAOYSA-N
XLogP5.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 68945828
2-[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]-N-ethoxy-2-oxoacetamide
CID 152542515
4-[[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl]amino]-3-methylbutanoic acid
CID 67658219
[[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]sulfonylamino] propanoate
CID 67658414
2-chloro-5-[4-(trifluoromethyl)pyrimidin-2-yl]benzoyl chloride
CID 90329250
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118847412
2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
CID 118822528
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909577
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 176902739
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 1480210
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoyl chloride
CID 15334422

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride?
The IUPAC name of 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride (CID 19068751) is 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride.
What is the SMILES notation for 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride?
The canonical SMILES for 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride is O=C(Cl)c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride?
The InChIKey is GPNRWQFWWCNJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl3F3NO/c14-9-2-1-6(3-8(9)12(16)21)11-10(15)4-7(5-20-11)13(17,18)19/h1-5H.
What are the key properties of 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride?
2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride has a molecular weight of 354.54 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride is sourced from PubChem (CID 19068751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).