2-(2,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid

C12H6Cl2FNO3 — CID 91871732

IUPAC2-(2,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)c(Cl)cc2Cl)[nH]c(=O)c1
InChIInChI=1S/C12H6Cl2FNO3/c13-7-4-8(14)9(15)3-6(7)10-1-5(12(18)19)2-11(17)16-10/h1-4H,(H,16,17)(H,18,19)
InChIKeyIKYSWRNTTJFPAN-UHFFFAOYSA-N
MW302.09 g/mol
LogP3.19
Rot. Bonds2

About 2-(2,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid

2-(2,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 91871732) has the molecular formula C12H6Cl2FNO3 and a molecular weight of 302.09 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid
PubChem CID91871732
Molecular FormulaC12H6Cl2FNO3
Molecular Weight302.09 g/mol
Exact Mass300.97
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(F)c(Cl)cc2Cl)[nH]c(=O)c1
InChIInChI=1S/C12H6Cl2FNO3/c13-7-4-8(14)9(15)3-6(7)10-1-5(12(18)19)2-11(17)16-10/h1-4H,(H,16,17)(H,18,19)
InChIKeyIKYSWRNTTJFPAN-UHFFFAOYSA-N
XLogP3.19
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid (CID 91871732) is 2-(2,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid is O=C(O)c1cc(-c2cc(F)c(Cl)cc2Cl)[nH]c(=O)c1.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is IKYSWRNTTJFPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FNO3/c13-7-4-8(14)9(15)3-6(7)10-1-5(12(18)19)2-11(17)16-10/h1-4H,(H,16,17)(H,18,19).
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid?
2-(2,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 302.09 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-fluorophenyl)-6-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 91871732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).