2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine

C11H7Cl2FN2O2 — CID 23129198

IUPAC2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine
SMILESO=C(O)c1cc(F)c(Cl)nc1Cl.c1ccncc1
InChIInChI=1S/C6H2Cl2FNO2.C5H5N/c7-4-2(6(11)12)1-3(9)5(8)10-4;1-2-4-6-5-3-1/h1H,(H,11,12);1-5H
InChIKeyHMBFPAPRTAEMLW-UHFFFAOYSA-N
MW289.09 g/mol
LogP3.31
Rot. Bonds1

About 2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine

2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine (PubChem CID 23129198) has the molecular formula C11H7Cl2FN2O2 and a molecular weight of 289.09 g/mol. Its IUPAC name is 2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine.

Molecular Properties

Compound Name2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine
PubChem CID23129198
Molecular FormulaC11H7Cl2FN2O2
Molecular Weight289.09 g/mol
Exact Mass287.99
IUPAC Name2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine
SMILESO=C(O)c1cc(F)c(Cl)nc1Cl.c1ccncc1
InChIInChI=1S/C6H2Cl2FNO2.C5H5N/c7-4-2(6(11)12)1-3(9)5(8)10-4;1-2-4-6-5-3-1/h1H,(H,11,12);1-5H
InChIKeyHMBFPAPRTAEMLW-UHFFFAOYSA-N
XLogP3.31
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine?
The IUPAC name of 2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine (CID 23129198) is 2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine.
What is the SMILES notation for 2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine?
The canonical SMILES for 2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine is O=C(O)c1cc(F)c(Cl)nc1Cl.c1ccncc1.
What is the InChIKey of 2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine?
The InChIKey is HMBFPAPRTAEMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2FNO2.C5H5N/c7-4-2(6(11)12)1-3(9)5(8)10-4;1-2-4-6-5-3-1/h1H,(H,11,12);1-5H.
What are the key properties of 2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine?
2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine has a molecular weight of 289.09 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-5-fluoropyridine-3-carboxylic acid;pyridine is sourced from PubChem (CID 23129198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).