2-(6-chloro-2-pyridinyl)-2,2-difluoroacetic acid

C7H4ClF2NO2 — CID 23467936

IUPAC2-(6-chloro-2-pyridinyl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1cccc(Cl)n1
InChIInChI=1S/C7H4ClF2NO2/c8-5-3-1-2-4(11-5)7(9,10)6(12)13/h1-3H,(H,12,13)
InChIKeyLEQAODRBAPDZRK-UHFFFAOYSA-N
MW207.56 g/mol
LogP1.91
Rot. Bonds2

About 2-(6-chloro-2-pyridinyl)-2,2-difluoroacetic acid

2-(6-chloro-2-pyridinyl)-2,2-difluoroacetic acid (PubChem CID 23467936) has the molecular formula C7H4ClF2NO2 and a molecular weight of 207.56 g/mol. Its IUPAC name is 2-(6-chloro-2-pyridinyl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(6-chloro-2-pyridinyl)-2,2-difluoroacetic acid
PubChem CID23467936
Molecular FormulaC7H4ClF2NO2
Molecular Weight207.56 g/mol
Exact Mass206.99
IUPAC Name2-(6-chloro-2-pyridinyl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1cccc(Cl)n1
InChIInChI=1S/C7H4ClF2NO2/c8-5-3-1-2-4(11-5)7(9,10)6(12)13/h1-3H,(H,12,13)
InChIKeyLEQAODRBAPDZRK-UHFFFAOYSA-N
XLogP1.91
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.56
LogP ≤ 51.91
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-(6-chloro-2-pyridinyl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(6-chloro-2-pyridinyl)-2,2-difluoroacetic acid (CID 23467936) is 2-(6-chloro-2-pyridinyl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(6-chloro-2-pyridinyl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(6-chloro-2-pyridinyl)-2,2-difluoroacetic acid is O=C(O)C(F)(F)c1cccc(Cl)n1.
What is the InChIKey of 2-(6-chloro-2-pyridinyl)-2,2-difluoroacetic acid?
The InChIKey is LEQAODRBAPDZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO2/c8-5-3-1-2-4(11-5)7(9,10)6(12)13/h1-3H,(H,12,13).
What are the key properties of 2-(6-chloro-2-pyridinyl)-2,2-difluoroacetic acid?
2-(6-chloro-2-pyridinyl)-2,2-difluoroacetic acid has a molecular weight of 207.56 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-pyridinyl)-2,2-difluoroacetic acid is sourced from PubChem (CID 23467936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).