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

C7H3ClF3NO2 — CID 11218389

IUPAC2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C7H3ClF3NO2/c8-5-2-3(6(13)14)1-4(12-5)7(9,10)11/h1-2H,(H,13,14)
InChIKeyOMXMPMNUSMLQQS-UHFFFAOYSA-N
MW225.55 g/mol
LogP2.45
Rot. Bonds1

About 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid

2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 11218389) has the molecular formula C7H3ClF3NO2 and a molecular weight of 225.55 g/mol. Its IUPAC name is 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid
PubChem CID11218389
Molecular FormulaC7H3ClF3NO2
Molecular Weight225.55 g/mol
Exact Mass224.98
IUPAC Name2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(C(F)(F)F)c1
InChIInChI=1S/C7H3ClF3NO2/c8-5-2-3(6(13)14)1-4(12-5)7(9,10)11/h1-2H,(H,13,14)
InChIKeyOMXMPMNUSMLQQS-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 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid (CID 11218389) is 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is OMXMPMNUSMLQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO2/c8-5-2-3(6(13)14)1-4(12-5)7(9,10)11/h1-2H,(H,13,14).
What are the key properties of 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid?
2-chloro-6-(trifluoromethyl)pyridine-4-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 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 11218389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).