5-(hydrazinecarbonyl)thiophene-2-carboxylic acid;pyridine-2-carboxamide

C12H12N4O4S — CID 67087327

IUPAC5-(hydrazinecarbonyl)thiophene-2-carboxylic acid;pyridine-2-carboxamide
SMILESNC(=O)c1ccccn1.NNC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C6H6N2O3S.C6H6N2O/c7-8-5(9)3-1-2-4(12-3)6(10)11;7-6(9)5-3-1-2-4-8-5/h1-2H,7H2,(H,8,9)(H,10,11);1-4H,(H2,7,9)
InChIKeyREPCBVVBBLDAHO-UHFFFAOYSA-N
MW308.32 g/mol
LogP0.23
Rot. Bonds3

About 5-(hydrazinecarbonyl)thiophene-2-carboxylic acid;pyridine-2-carboxamide

5-(hydrazinecarbonyl)thiophene-2-carboxylic acid;pyridine-2-carboxamide (PubChem CID 67087327) has the molecular formula C12H12N4O4S and a molecular weight of 308.32 g/mol. Its IUPAC name is 5-(hydrazinecarbonyl)thiophene-2-carboxylic acid;pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(hydrazinecarbonyl)thiophene-2-carboxylic acid;pyridine-2-carboxamide
PubChem CID67087327
Molecular FormulaC12H12N4O4S
Molecular Weight308.32 g/mol
Exact Mass308.06
IUPAC Name5-(hydrazinecarbonyl)thiophene-2-carboxylic acid;pyridine-2-carboxamide
SMILESNC(=O)c1ccccn1.NNC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C6H6N2O3S.C6H6N2O/c7-8-5(9)3-1-2-4(12-3)6(10)11;7-6(9)5-3-1-2-4-8-5/h1-2H,7H2,(H,8,9)(H,10,11);1-4H,(H2,7,9)
InChIKeyREPCBVVBBLDAHO-UHFFFAOYSA-N
XLogP0.23
TPSA148.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(hydrazinecarbonyl)thiophene-2-carboxylic acid;pyridine-2-carboxamide?
The IUPAC name of 5-(hydrazinecarbonyl)thiophene-2-carboxylic acid;pyridine-2-carboxamide (CID 67087327) is 5-(hydrazinecarbonyl)thiophene-2-carboxylic acid;pyridine-2-carboxamide.
What is the SMILES notation for 5-(hydrazinecarbonyl)thiophene-2-carboxylic acid;pyridine-2-carboxamide?
The canonical SMILES for 5-(hydrazinecarbonyl)thiophene-2-carboxylic acid;pyridine-2-carboxamide is NC(=O)c1ccccn1.NNC(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-(hydrazinecarbonyl)thiophene-2-carboxylic acid;pyridine-2-carboxamide?
The InChIKey is REPCBVVBBLDAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3S.C6H6N2O/c7-8-5(9)3-1-2-4(12-3)6(10)11;7-6(9)5-3-1-2-4-8-5/h1-2H,7H2,(H,8,9)(H,10,11);1-4H,(H2,7,9).
What are the key properties of 5-(hydrazinecarbonyl)thiophene-2-carboxylic acid;pyridine-2-carboxamide?
5-(hydrazinecarbonyl)thiophene-2-carboxylic acid;pyridine-2-carboxamide has a molecular weight of 308.32 g/mol, XLogP of 0.23, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydrazinecarbonyl)thiophene-2-carboxylic acid;pyridine-2-carboxamide is sourced from PubChem (CID 67087327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).