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

C12H10ClN3O3S — CID 103803074

IUPAC2-chloro-5-nitro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1cccs1)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C12H10ClN3O3S/c13-11-10(6-8(7-15-11)16(18)19)12(17)14-4-3-9-2-1-5-20-9/h1-2,5-7H,3-4H2,(H,14,17)
InChIKeySFVXYASSDKLZEO-UHFFFAOYSA-N
MW311.75 g/mol
LogP2.68
Rot. Bonds5

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

2-chloro-5-nitro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (PubChem CID 103803074) has the molecular formula C12H10ClN3O3S and a molecular weight of 311.75 g/mol. Its IUPAC name is 2-chloro-5-nitro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-nitro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
PubChem CID103803074
Molecular FormulaC12H10ClN3O3S
Molecular Weight311.75 g/mol
Exact Mass311.01
IUPAC Name2-chloro-5-nitro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1cccs1)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C12H10ClN3O3S/c13-11-10(6-8(7-15-11)16(18)19)12(17)14-4-3-9-2-1-5-20-9/h1-2,5-7H,3-4H2,(H,14,17)
InChIKeySFVXYASSDKLZEO-UHFFFAOYSA-N
XLogP2.68
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 52.68
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-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 103803189
2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 62072619
2-chloro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 18071300
2-chloro-N-[3-(methylamino)propyl]-5-nitropyridine-3-carboxamide
CID 114046917
2-chloro-N-(3-methylsulfonylpropyl)-5-nitropyridine-3-carboxamide
CID 103803706
5-nitro-2-piperidin-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 26313236
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-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 103803211
2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 114185998
2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide
CID 103803521
3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79534692

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-nitro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (CID 103803074) is 2-chloro-5-nitro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-nitro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-nitro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is O=C(NCCc1cccs1)c1cc([N+](=O)[O-])cnc1Cl.
What is the InChIKey of 2-chloro-5-nitro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is SFVXYASSDKLZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3S/c13-11-10(6-8(7-15-11)16(18)19)12(17)14-4-3-9-2-1-5-20-9/h1-2,5-7H,3-4H2,(H,14,17).
What are the key properties of 2-chloro-5-nitro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
2-chloro-5-nitro-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 311.75 g/mol, XLogP of 2.68, 5 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-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 103803074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).