2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C8H4ClN5O3S — CID 113264937

IUPAC2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C8H4ClN5O3S/c9-6-5(1-4(2-10-6)14(16)17)7(15)12-8-13-11-3-18-8/h1-3H,(H,12,13,15)
InChIKeyOZVVIRUKMZTMQK-UHFFFAOYSA-N
MW285.67 g/mol
LogP1.75
Rot. Bonds3

About 2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 113264937) has the molecular formula C8H4ClN5O3S and a molecular weight of 285.67 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID113264937
Molecular FormulaC8H4ClN5O3S
Molecular Weight285.67 g/mol
Exact Mass284.97
IUPAC Name2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C8H4ClN5O3S/c9-6-5(1-4(2-10-6)14(16)17)7(15)12-8-13-11-3-18-8/h1-3H,(H,12,13,15)
InChIKeyOZVVIRUKMZTMQK-UHFFFAOYSA-N
XLogP1.75
TPSA110.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.67
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3,5-dinitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 3276112
2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55052407
2-chloro-5-nitro-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 103821297
2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369991
2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370129
2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide
CID 103817011
methyl (2S)-2-[(2-chloro-5-nitropyridine-3-carbonyl)amino]propanoate
CID 103803511
2-chloro-N-(3-chloro-2-fluorophenyl)-5-nitropyridine-3-carboxamide
CID 103916955
2-chloro-5-nitropyridine-3-carboxylic acid;ethane
CID 142859548
2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 103803211
N-(3-amino-2-hydroxy-3-oxopropyl)-2-chloro-5-nitropyridine-3-carboxamide
CID 106164488
2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 103803189

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 113264937) is 2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nncs1)c1cc([N+](=O)[O-])cnc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is OZVVIRUKMZTMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN5O3S/c9-6-5(1-4(2-10-6)14(16)17)7(15)12-8-13-11-3-18-8/h1-3H,(H,12,13,15).
What are the key properties of 2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 285.67 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 113264937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).