2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid

C13H6Cl2F3NO2 — CID 118802456

IUPAC2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)ccnc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H6Cl2F3NO2/c14-6-1-2-7(9(15)5-6)11-10(12(20)21)8(3-4-19-11)13(16,17)18/h1-5H,(H,20,21)
InChIKeyFAPRJEVTRWNLBL-UHFFFAOYSA-N
MW336.10 g/mol
LogP4.77
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid

2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 118802456) has the molecular formula C13H6Cl2F3NO2 and a molecular weight of 336.10 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID118802456
Molecular FormulaC13H6Cl2F3NO2
Molecular Weight336.10 g/mol
Exact Mass334.97
IUPAC Name2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)ccnc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H6Cl2F3NO2/c14-6-1-2-7(9(15)5-6)11-10(12(20)21)8(3-4-19-11)13(16,17)18/h1-5H,(H,20,21)
InChIKeyFAPRJEVTRWNLBL-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-(2,3-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118830530
2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118802444
2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118830649
2-[3-chloro-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088248
2-[3-amino-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133087191
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 631511
3-chloro-2-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)pyridine
CID 134636127
5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087184
2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid
CID 118824902
2-[2-(2,4-dichlorophenyl)-4-methyl-3-pyridinyl]acetic acid
CID 118853015
[2-(2,4-dichlorophenyl)-3-fluoro-4-pyridinyl]methanol
CID 118813716
1-(4-chloro-2-fluorophenyl)isoquinoline-7-carboxylic acid
CID 67960991

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid (CID 118802456) is 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1c(C(F)(F)F)ccnc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is FAPRJEVTRWNLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F3NO2/c14-6-1-2-7(9(15)5-6)11-10(12(20)21)8(3-4-19-11)13(16,17)18/h1-5H,(H,20,21).
What are the key properties of 2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic 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-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 118802456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).