6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid

C13H8ClFN2O4 — CID 43609551

IUPAC6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid
SMILESNC(=O)c1c(F)cccc1Oc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C13H8ClFN2O4/c14-7-4-6(13(19)20)5-17-12(7)21-9-3-1-2-8(15)10(9)11(16)18/h1-5H,(H2,16,18)(H,19,20)
InChIKeySEJKIMLLOYMECB-UHFFFAOYSA-N
MW310.67 g/mol
LogP2.46
Rot. Bonds4

About 6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid

6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid (PubChem CID 43609551) has the molecular formula C13H8ClFN2O4 and a molecular weight of 310.67 g/mol. Its IUPAC name is 6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid
PubChem CID43609551
Molecular FormulaC13H8ClFN2O4
Molecular Weight310.67 g/mol
Exact Mass310.02
IUPAC Name6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid
SMILESNC(=O)c1c(F)cccc1Oc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C13H8ClFN2O4/c14-7-4-6(13(19)20)5-17-12(7)21-9-3-1-2-8(15)10(9)11(16)18/h1-5H,(H2,16,18)(H,19,20)
InChIKeySEJKIMLLOYMECB-UHFFFAOYSA-N
XLogP2.46
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.67
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid?
The IUPAC name of 6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid (CID 43609551) is 6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid is NC(=O)c1c(F)cccc1Oc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid?
The InChIKey is SEJKIMLLOYMECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O4/c14-7-4-6(13(19)20)5-17-12(7)21-9-3-1-2-8(15)10(9)11(16)18/h1-5H,(H2,16,18)(H,19,20).
What are the key properties of 6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid?
6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid has a molecular weight of 310.67 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-carbamoyl-3-fluorophenoxy)-5-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 43609551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).