4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylic acid

C11H7Cl2FN2O2S — CID 68599860

IUPAC4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylic acid
SMILESCc1c(F)sc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1Cl
InChIInChI=1S/C11H7Cl2FN2O2S/c1-3-6(12)9(19-10(3)14)5-2-4(15)7(13)8(16-5)11(17)18/h2H,1H3,(H2,15,16)(H,17,18)
InChIKeyYFVXVIFJNWZJAV-UHFFFAOYSA-N
MW321.16 g/mol
LogP3.84
Rot. Bonds2

About 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylic acid

4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylic acid (PubChem CID 68599860) has the molecular formula C11H7Cl2FN2O2S and a molecular weight of 321.16 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylic acid
PubChem CID68599860
Molecular FormulaC11H7Cl2FN2O2S
Molecular Weight321.16 g/mol
Exact Mass319.96
IUPAC Name4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylic acid
SMILESCc1c(F)sc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1Cl
InChIInChI=1S/C11H7Cl2FN2O2S/c1-3-6(12)9(19-10(3)14)5-2-4(15)7(13)8(16-5)11(17)18/h2H,1H3,(H2,15,16)(H,17,18)
InChIKeyYFVXVIFJNWZJAV-UHFFFAOYSA-N
XLogP3.84
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 53.84
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-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylic acid (CID 68599860) is 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylic acid is Cc1c(F)sc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1Cl.
What is the InChIKey of 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylic acid?
The InChIKey is YFVXVIFJNWZJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O2S/c1-3-6(12)9(19-10(3)14)5-2-4(15)7(13)8(16-5)11(17)18/h2H,1H3,(H2,15,16)(H,17,18).
What are the key properties of 4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylic acid?
4-amino-3-chloro-6-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylic acid has a molecular weight of 321.16 g/mol, XLogP of 3.84, 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-(3-chloro-5-fluoro-4-methylthiophen-2-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 68599860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).