5-chloro-2,3-difluoropyridine-4-carboxylic acid

C6H2ClF2NO2 — CID 11095490

IUPAC5-chloro-2,3-difluoropyridine-4-carboxylic acid
SMILESO=C(O)c1c(Cl)cnc(F)c1F
InChIInChI=1S/C6H2ClF2NO2/c7-2-1-10-5(9)4(8)3(2)6(11)12/h1H,(H,11,12)
InChIKeyVGJLRTQANXKSET-UHFFFAOYSA-N
MW193.54 g/mol
LogP1.71
Rot. Bonds1

About 5-chloro-2,3-difluoropyridine-4-carboxylic acid

5-chloro-2,3-difluoropyridine-4-carboxylic acid (PubChem CID 11095490) has the molecular formula C6H2ClF2NO2 and a molecular weight of 193.54 g/mol. Its IUPAC name is 5-chloro-2,3-difluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2,3-difluoropyridine-4-carboxylic acid
PubChem CID11095490
Molecular FormulaC6H2ClF2NO2
Molecular Weight193.54 g/mol
Exact Mass192.97
IUPAC Name5-chloro-2,3-difluoropyridine-4-carboxylic acid
SMILESO=C(O)c1c(Cl)cnc(F)c1F
InChIInChI=1S/C6H2ClF2NO2/c7-2-1-10-5(9)4(8)3(2)6(11)12/h1H,(H,11,12)
InChIKeyVGJLRTQANXKSET-UHFFFAOYSA-N
XLogP1.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.54
LogP ≤ 51.71
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 5-chloro-2,3-difluoropyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2,3-difluoropyridine-4-carboxylic acid (CID 11095490) is 5-chloro-2,3-difluoropyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2,3-difluoropyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2,3-difluoropyridine-4-carboxylic acid is O=C(O)c1c(Cl)cnc(F)c1F.
What is the InChIKey of 5-chloro-2,3-difluoropyridine-4-carboxylic acid?
The InChIKey is VGJLRTQANXKSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF2NO2/c7-2-1-10-5(9)4(8)3(2)6(11)12/h1H,(H,11,12).
What are the key properties of 5-chloro-2,3-difluoropyridine-4-carboxylic acid?
5-chloro-2,3-difluoropyridine-4-carboxylic acid has a molecular weight of 193.54 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-difluoropyridine-4-carboxylic acid is sourced from PubChem (CID 11095490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).