2,5-dichloro-3-fluoro-6-iodopyridine-4-carboxylic acid

C6HCl2FINO2 — CID 11067665

IUPAC2,5-dichloro-3-fluoro-6-iodopyridine-4-carboxylic acid
SMILESO=C(O)c1c(F)c(Cl)nc(I)c1Cl
InChIInChI=1S/C6HCl2FINO2/c7-2-1(6(12)13)3(9)4(8)11-5(2)10/h(H,12,13)
InChIKeyCZQUEUAVXVSVBE-UHFFFAOYSA-N
MW335.89 g/mol
LogP2.83
Rot. Bonds1

About 2,5-dichloro-3-fluoro-6-iodopyridine-4-carboxylic acid

2,5-dichloro-3-fluoro-6-iodopyridine-4-carboxylic acid (PubChem CID 11067665) has the molecular formula C6HCl2FINO2 and a molecular weight of 335.89 g/mol. Its IUPAC name is 2,5-dichloro-3-fluoro-6-iodopyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,5-dichloro-3-fluoro-6-iodopyridine-4-carboxylic acid
PubChem CID11067665
Molecular FormulaC6HCl2FINO2
Molecular Weight335.89 g/mol
Exact Mass334.84
IUPAC Name2,5-dichloro-3-fluoro-6-iodopyridine-4-carboxylic acid
SMILESO=C(O)c1c(F)c(Cl)nc(I)c1Cl
InChIInChI=1S/C6HCl2FINO2/c7-2-1(6(12)13)3(9)4(8)11-5(2)10/h(H,12,13)
InChIKeyCZQUEUAVXVSVBE-UHFFFAOYSA-N
XLogP2.83
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.89
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-fluoro-6-iodopyridine-4-carboxylic acid?
The IUPAC name of 2,5-dichloro-3-fluoro-6-iodopyridine-4-carboxylic acid (CID 11067665) is 2,5-dichloro-3-fluoro-6-iodopyridine-4-carboxylic acid.
What is the SMILES notation for 2,5-dichloro-3-fluoro-6-iodopyridine-4-carboxylic acid?
The canonical SMILES for 2,5-dichloro-3-fluoro-6-iodopyridine-4-carboxylic acid is O=C(O)c1c(F)c(Cl)nc(I)c1Cl.
What is the InChIKey of 2,5-dichloro-3-fluoro-6-iodopyridine-4-carboxylic acid?
The InChIKey is CZQUEUAVXVSVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl2FINO2/c7-2-1(6(12)13)3(9)4(8)11-5(2)10/h(H,12,13).
What are the key properties of 2,5-dichloro-3-fluoro-6-iodopyridine-4-carboxylic acid?
2,5-dichloro-3-fluoro-6-iodopyridine-4-carboxylic acid has a molecular weight of 335.89 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-fluoro-6-iodopyridine-4-carboxylic acid is sourced from PubChem (CID 11067665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).