3-[(4-chloropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid

C11H7ClN2O3S — CID 43625169

IUPAC3-[(4-chloropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1cc(Cl)ccn1
InChIInChI=1S/C11H7ClN2O3S/c12-6-1-3-13-8(5-6)10(15)14-7-2-4-18-9(7)11(16)17/h1-5H,(H,14,15)(H,16,17)
InChIKeyQQNBTGBEBLBNNI-UHFFFAOYSA-N
MW282.71 g/mol
LogP2.75
Rot. Bonds3

About 3-[(4-chloropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid

3-[(4-chloropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 43625169) has the molecular formula C11H7ClN2O3S and a molecular weight of 282.71 g/mol. Its IUPAC name is 3-[(4-chloropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-chloropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID43625169
Molecular FormulaC11H7ClN2O3S
Molecular Weight282.71 g/mol
Exact Mass281.99
IUPAC Name3-[(4-chloropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1cc(Cl)ccn1
InChIInChI=1S/C11H7ClN2O3S/c12-6-1-3-13-8(5-6)10(15)14-7-2-4-18-9(7)11(16)17/h1-5H,(H,14,15)(H,16,17)
InChIKeyQQNBTGBEBLBNNI-UHFFFAOYSA-N
XLogP2.75
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.71
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-chloropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid (CID 43625169) is 3-[(4-chloropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-chloropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-chloropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid is O=C(Nc1ccsc1C(=O)O)c1cc(Cl)ccn1.
What is the InChIKey of 3-[(4-chloropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is QQNBTGBEBLBNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O3S/c12-6-1-3-13-8(5-6)10(15)14-7-2-4-18-9(7)11(16)17/h1-5H,(H,14,15)(H,16,17).
What are the key properties of 3-[(4-chloropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid?
3-[(4-chloropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid has a molecular weight of 282.71 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloropyridine-2-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43625169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).