N'-(5-nitrothiophene-2-carbonyl)pyridine-3-carbohydrazide

C11H8N4O4S — CID 26641123

IUPACN'-(5-nitrothiophene-2-carbonyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])s1)c1cccnc1
InChIInChI=1S/C11H8N4O4S/c16-10(7-2-1-5-12-6-7)13-14-11(17)8-3-4-9(20-8)15(18)19/h1-6H,(H,13,16)(H,14,17)
InChIKeyXHNRLWZYTYPQMJ-UHFFFAOYSA-N
MW292.28 g/mol
LogP1.13
Rot. Bonds3

About N'-(5-nitrothiophene-2-carbonyl)pyridine-3-carbohydrazide

N'-(5-nitrothiophene-2-carbonyl)pyridine-3-carbohydrazide (PubChem CID 26641123) has the molecular formula C11H8N4O4S and a molecular weight of 292.28 g/mol. Its IUPAC name is N'-(5-nitrothiophene-2-carbonyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5-nitrothiophene-2-carbonyl)pyridine-3-carbohydrazide
PubChem CID26641123
Molecular FormulaC11H8N4O4S
Molecular Weight292.28 g/mol
Exact Mass292.03
IUPAC NameN'-(5-nitrothiophene-2-carbonyl)pyridine-3-carbohydrazide
SMILESO=C(NNC(=O)c1ccc([N+](=O)[O-])s1)c1cccnc1
InChIInChI=1S/C11H8N4O4S/c16-10(7-2-1-5-12-6-7)13-14-11(17)8-3-4-9(20-8)15(18)19/h1-6H,(H,13,16)(H,14,17)
InChIKeyXHNRLWZYTYPQMJ-UHFFFAOYSA-N
XLogP1.13
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-bromothiophene-2-carbonyl)-5-nitrothiophene-2-carbohydrazide
CID 26662499
ethane;N-(3-hydroxy-4-pyridinyl)-5-nitrothiophene-2-carboxamide
CID 143408110
N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide
CID 15547621
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
N'-(2-amino-2-methylpropanoyl)pyridine-3-carbohydrazide
CID 67519841
N'-[4-(dimethylamino)benzoyl]pyridine-3-carbohydrazide
CID 25342800
N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide
CID 50880463
5-nitro-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 60513827
N'-[3-(3-nitro-1,2,4-triazol-1-yl)prop-1-en-2-yl]pyridine-3-carbohydrazide
CID 4654455
N'-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]pyridine-3-carbohydrazide
CID 29435870
tris(nitric acid);pyridine-3-carboxylic acid
CID 71410042
N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 693354

Frequently Asked Questions

What is the IUPAC name of N'-(5-nitrothiophene-2-carbonyl)pyridine-3-carbohydrazide?
The IUPAC name of N'-(5-nitrothiophene-2-carbonyl)pyridine-3-carbohydrazide (CID 26641123) is N'-(5-nitrothiophene-2-carbonyl)pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(5-nitrothiophene-2-carbonyl)pyridine-3-carbohydrazide?
The canonical SMILES for N'-(5-nitrothiophene-2-carbonyl)pyridine-3-carbohydrazide is O=C(NNC(=O)c1ccc([N+](=O)[O-])s1)c1cccnc1.
What is the InChIKey of N'-(5-nitrothiophene-2-carbonyl)pyridine-3-carbohydrazide?
The InChIKey is XHNRLWZYTYPQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O4S/c16-10(7-2-1-5-12-6-7)13-14-11(17)8-3-4-9(20-8)15(18)19/h1-6H,(H,13,16)(H,14,17).
What are the key properties of N'-(5-nitrothiophene-2-carbonyl)pyridine-3-carbohydrazide?
N'-(5-nitrothiophene-2-carbonyl)pyridine-3-carbohydrazide has a molecular weight of 292.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-nitrothiophene-2-carbonyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 26641123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).