4-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid

C7H3ClF3NO2 — CID 71300229

IUPAC4-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c(C(F)(F)F)cn1
InChIInChI=1S/C7H3ClF3NO2/c8-4-1-5(6(13)14)12-2-3(4)7(9,10)11/h1-2H,(H,13,14)
InChIKeyDHNYXJDRUJMSSC-UHFFFAOYSA-N
MW225.55 g/mol
LogP2.45
Rot. Bonds1

About 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid

4-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 71300229) has the molecular formula C7H3ClF3NO2 and a molecular weight of 225.55 g/mol. Its IUPAC name is 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID71300229
Molecular FormulaC7H3ClF3NO2
Molecular Weight225.55 g/mol
Exact Mass224.98
IUPAC Name4-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(Cl)c(C(F)(F)F)cn1
InChIInChI=1S/C7H3ClF3NO2/c8-4-1-5(6(13)14)12-2-3(4)7(9,10)11/h1-2H,(H,13,14)
InChIKeyDHNYXJDRUJMSSC-UHFFFAOYSA-N
XLogP2.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.55
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Picolinic acid
CID 1018
2,4-Pyridinedicarboxylic acid
CID 10365
3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 2821908
3,4,5-Trichloropyridine-2-carboxylic acid
CID 225521
4-Chloropyridine-2-carboxylic acid
CID 230890
2-Pyridinecarboxylic acid, hydrochloride (1:1)
CID 71559
5-Methylpicolinic acid
CID 199575
3-Sulfanyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 139597666
5-Ethylpicolinic acid
CID 120375
5-(4'-Chlorobutyl)picolinic acid
CID 198227
5-Fluoropyridine-2,4-dicarboxylic acid
CID 122163674
3,5-Dichloro-2-pyridinecarboxylic acid
CID 219989

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 71300229) is 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1cc(Cl)c(C(F)(F)F)cn1.
What is the InChIKey of 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is DHNYXJDRUJMSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO2/c8-4-1-5(6(13)14)12-2-3(4)7(9,10)11/h1-2H,(H,13,14).
What are the key properties of 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid?
4-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 225.55 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 71300229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).