2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid

C13H6Cl2F3NO2 — CID 68945828

IUPAC2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1Cl
InChIInChI=1S/C13H6Cl2F3NO2/c14-9-3-6(1-2-8(9)12(20)21)11-10(15)4-7(5-19-11)13(16,17)18/h1-5H,(H,20,21)
InChIKeyLTJAGOMUCAMIIR-UHFFFAOYSA-N
MW336.10 g/mol
LogP4.77
Rot. Bonds2

About 2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid

2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid (PubChem CID 68945828) has the molecular formula C13H6Cl2F3NO2 and a molecular weight of 336.10 g/mol. Its IUPAC name is 2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid
PubChem CID68945828
Molecular FormulaC13H6Cl2F3NO2
Molecular Weight336.10 g/mol
Exact Mass334.97
IUPAC Name2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1Cl
InChIInChI=1S/C13H6Cl2F3NO2/c14-9-3-6(1-2-8(9)12(20)21)11-10(15)4-7(5-19-11)13(16,17)18/h1-5H,(H,20,21)
InChIKeyLTJAGOMUCAMIIR-UHFFFAOYSA-N
XLogP4.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.10
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoyl chloride
CID 19068751
2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909577
2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68944876
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118847412
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]oxy]benzoic acid
CID 176902739
2-(4-methoxyphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909581
2,5-bis[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 134618070
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-chlorobenzoic acid
CID 66511603
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 103596049
[[2-chloro-5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]phenyl]sulfonylamino] propanoate
CID 67658414

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid?
The IUPAC name of 2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid (CID 68945828) is 2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid.
What is the SMILES notation for 2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid?
The canonical SMILES for 2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid is O=C(O)c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid?
The InChIKey is LTJAGOMUCAMIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F3NO2/c14-9-3-6(1-2-8(9)12(20)21)11-10(15)4-7(5-19-11)13(16,17)18/h1-5H,(H,20,21).
What are the key properties of 2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid?
2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid has a molecular weight of 336.10 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid is sourced from PubChem (CID 68945828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).