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

C13H6ClF2N3O2 — CID 90409966

IUPAC4-amino-3-chloro-6-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylic acid
SMILESN#Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)c(F)c1
InChIInChI=1S/C13H6ClF2N3O2/c14-8-10(18)9(16)11(19-12(8)13(20)21)6-2-1-5(4-17)3-7(6)15/h1-3H,(H2,18,19)(H,20,21)
InChIKeyLPYMEJYNGKRQGK-UHFFFAOYSA-N
MW309.66 g/mol
LogP2.83
Rot. Bonds2

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

4-amino-3-chloro-6-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylic acid (PubChem CID 90409966) has the molecular formula C13H6ClF2N3O2 and a molecular weight of 309.66 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylic acid
PubChem CID90409966
Molecular FormulaC13H6ClF2N3O2
Molecular Weight309.66 g/mol
Exact Mass309.01
IUPAC Name4-amino-3-chloro-6-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylic acid
SMILESN#Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)c(F)c1
InChIInChI=1S/C13H6ClF2N3O2/c14-8-10(18)9(16)11(19-12(8)13(20)21)6-2-1-5(4-17)3-7(6)15/h1-3H,(H2,18,19)(H,20,21)
InChIKeyLPYMEJYNGKRQGK-UHFFFAOYSA-N
XLogP2.83
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.66
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylic acid (CID 90409966) is 4-amino-3-chloro-6-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylic acid is N#Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)c(F)c1.
What is the InChIKey of 4-amino-3-chloro-6-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylic acid?
The InChIKey is LPYMEJYNGKRQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF2N3O2/c14-8-10(18)9(16)11(19-12(8)13(20)21)6-2-1-5(4-17)3-7(6)15/h1-3H,(H2,18,19)(H,20,21).
What are the key properties of 4-amino-3-chloro-6-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylic acid?
4-amino-3-chloro-6-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylic acid has a molecular weight of 309.66 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 90409966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).