4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid

C13H9ClFN3O3 — CID 137484739

IUPAC4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
SMILESNC(=O)c1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)cc1
InChIInChI=1S/C13H9ClFN3O3/c14-7-9(16)8(15)10(18-11(7)13(20)21)5-1-3-6(4-2-5)12(17)19/h1-4H,(H2,16,18)(H2,17,19)(H,20,21)
InChIKeyPGWPMRICPOIOJN-UHFFFAOYSA-N
MW309.68 g/mol
LogP1.92
Rot. Bonds3

About 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid

4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid (PubChem CID 137484739) has the molecular formula C13H9ClFN3O3 and a molecular weight of 309.68 g/mol. Its IUPAC name is 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
PubChem CID137484739
Molecular FormulaC13H9ClFN3O3
Molecular Weight309.68 g/mol
Exact Mass309.03
IUPAC Name4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
SMILESNC(=O)c1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)cc1
InChIInChI=1S/C13H9ClFN3O3/c14-7-9(16)8(15)10(18-11(7)13(20)21)5-1-3-6(4-2-5)12(17)19/h1-4H,(H2,16,18)(H2,17,19)(H,20,21)
InChIKeyPGWPMRICPOIOJN-UHFFFAOYSA-N
XLogP1.92
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid (CID 137484739) is 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid is NC(=O)c1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)cc1.
What is the InChIKey of 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid?
The InChIKey is PGWPMRICPOIOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O3/c14-7-9(16)8(15)10(18-11(7)13(20)21)5-1-3-6(4-2-5)12(17)19/h1-4H,(H2,16,18)(H2,17,19)(H,20,21).
What are the key properties of 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid?
4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid has a molecular weight of 309.68 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 137484739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).