3,5-dichloro-2-fluoropyridine-4-carboxylic acid

C6H2Cl2FNO2 — CID 11830681

IUPAC3,5-dichloro-2-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1c(Cl)cnc(F)c1Cl
InChIInChI=1S/C6H2Cl2FNO2/c7-2-1-10-5(9)4(8)3(2)6(11)12/h1H,(H,11,12)
InChIKeyMXARXLYFYAKILY-UHFFFAOYSA-N
MW209.99 g/mol
LogP2.23
Rot. Bonds1

About 3,5-dichloro-2-fluoropyridine-4-carboxylic acid

3,5-dichloro-2-fluoropyridine-4-carboxylic acid (PubChem CID 11830681) has the molecular formula C6H2Cl2FNO2 and a molecular weight of 209.99 g/mol. Its IUPAC name is 3,5-dichloro-2-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name3,5-dichloro-2-fluoropyridine-4-carboxylic acid
PubChem CID11830681
Molecular FormulaC6H2Cl2FNO2
Molecular Weight209.99 g/mol
Exact Mass208.94
IUPAC Name3,5-dichloro-2-fluoropyridine-4-carboxylic acid
SMILESO=C(O)c1c(Cl)cnc(F)c1Cl
InChIInChI=1S/C6H2Cl2FNO2/c7-2-1-10-5(9)4(8)3(2)6(11)12/h1H,(H,11,12)
InChIKeyMXARXLYFYAKILY-UHFFFAOYSA-N
XLogP2.23
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.99
LogP ≤ 52.23
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 3,5-dichloro-2-fluoropyridine-4-carboxylic acid?
The IUPAC name of 3,5-dichloro-2-fluoropyridine-4-carboxylic acid (CID 11830681) is 3,5-dichloro-2-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 3,5-dichloro-2-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 3,5-dichloro-2-fluoropyridine-4-carboxylic acid is O=C(O)c1c(Cl)cnc(F)c1Cl.
What is the InChIKey of 3,5-dichloro-2-fluoropyridine-4-carboxylic acid?
The InChIKey is MXARXLYFYAKILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2FNO2/c7-2-1-10-5(9)4(8)3(2)6(11)12/h1H,(H,11,12).
What are the key properties of 3,5-dichloro-2-fluoropyridine-4-carboxylic acid?
3,5-dichloro-2-fluoropyridine-4-carboxylic acid has a molecular weight of 209.99 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 11830681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).