6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid

C7H3ClF3NO2 — CID 2783382

IUPAC6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Cl)cc1C(F)(F)F
InChIInChI=1S/C7H3ClF3NO2/c8-5-1-4(7(9,10)11)3(2-12-5)6(13)14/h1-2H,(H,13,14)
InChIKeyBULUOEXUXOKCIG-UHFFFAOYSA-N
MW225.55 g/mol
LogP2.45
Rot. Bonds1

About 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid

6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 2783382) has the molecular formula C7H3ClF3NO2 and a molecular weight of 225.55 g/mol. Its IUPAC name is 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID2783382
Molecular FormulaC7H3ClF3NO2
Molecular Weight225.55 g/mol
Exact Mass224.98
IUPAC Name6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(Cl)cc1C(F)(F)F
InChIInChI=1S/C7H3ClF3NO2/c8-5-1-4(7(9,10)11)3(2-12-5)6(13)14/h1-2H,(H,13,14)
InChIKeyBULUOEXUXOKCIG-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid (CID 2783382) is 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1cnc(Cl)cc1C(F)(F)F.
What is the InChIKey of 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is BULUOEXUXOKCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO2/c8-5-1-4(7(9,10)11)3(2-12-5)6(13)14/h1-2H,(H,13,14).
What are the key properties of 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid?
6-chloro-4-(trifluoromethyl)pyridine-3-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 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 2783382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).