2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C11H8ClN3O3S — CID 103803189

IUPAC2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C11H8ClN3O3S/c12-10-9(4-7(5-13-10)15(17)18)11(16)14-6-8-2-1-3-19-8/h1-5H,6H2,(H,14,16)
InChIKeyKIXXLFCBVZJJKU-UHFFFAOYSA-N
MW297.72 g/mol
LogP2.63
Rot. Bonds4

About 2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 103803189) has the molecular formula C11H8ClN3O3S and a molecular weight of 297.72 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID103803189
Molecular FormulaC11H8ClN3O3S
Molecular Weight297.72 g/mol
Exact Mass297.00
IUPAC Name2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C11H8ClN3O3S/c12-10-9(4-7(5-13-10)15(17)18)11(16)14-6-8-2-1-3-19-8/h1-5H,6H2,(H,14,16)
InChIKeyKIXXLFCBVZJJKU-UHFFFAOYSA-N
XLogP2.63
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-5-nitro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 103803074
2-chloro-N-[(5-methylthiophen-2-yl)methyl]-5-nitropyridine-3-carboxamide
CID 103803661
2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-nitropyridine-3-carboxamide
CID 103803639
2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 114185998
2-chloro-N-[(3-methylphenyl)methyl]-5-nitropyridine-3-carboxamide
CID 103803534
2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-nitropyridine-3-carboxamide
CID 103817210
2-chloro-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 103803211
5-(4-nitrophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 71824185
2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide
CID 103803521
2-amino-5-chloro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 114922128
2-chloro-N-[3-(methylamino)propyl]-5-nitropyridine-3-carboxamide
CID 114046917
2-chloro-N-(3-methylsulfonylpropyl)-5-nitropyridine-3-carboxamide
CID 103803706

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 103803189) is 2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccs1)c1cc([N+](=O)[O-])cnc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is KIXXLFCBVZJJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3S/c12-10-9(4-7(5-13-10)15(17)18)11(16)14-6-8-2-1-3-19-8/h1-5H,6H2,(H,14,16).
What are the key properties of 2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 297.72 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 103803189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).