6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine

C11H11N3O2S — CID 94392449

IUPAC6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine
SMILESC[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1cccs1
InChIInChI=1S/C11H11N3O2S/c1-8(10-3-2-6-17-10)13-9-4-5-11(12-7-9)14(15)16/h2-8,13H,1H3/t8-/m1/s1
InChIKeyXNYQSYBQSINLLL-MRVPVSSYSA-N
MW249.30 g/mol
LogP3.22
Rot. Bonds4

About 6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine

6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine (PubChem CID 94392449) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine
PubChem CID94392449
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine
SMILESC[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1cccs1
InChIInChI=1S/C11H11N3O2S/c1-8(10-3-2-6-17-10)13-9-4-5-11(12-7-9)14(15)16/h2-8,13H,1H3/t8-/m1/s1
InChIKeyXNYQSYBQSINLLL-MRVPVSSYSA-N
XLogP3.22
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

6-nitro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 60631531
N-[1-(2-fluorophenyl)ethyl]-6-nitropyridin-3-amine
CID 60631383
4-bromo-3-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 79768302
3-nitro-5-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline
CID 80732659
6-methylsulfanyl-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 115929489
N-[1-(5-methylfuran-2-yl)ethyl]-6-nitropyridin-3-amine
CID 62543911
N-(2-methyl-2-thiophen-2-ylpropyl)-6-nitropyridin-3-amine
CID 78993099
3-nitro-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 43397780
3-hydrazinyl-5-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 80907046
N-methyl-2-[(6-nitro-3-pyridinyl)amino]propanamide
CID 62545034
3-nitro-4-[[(1R)-1-thiophen-2-ylethyl]amino]benzaldehyde
CID 9109260
6-(2-methoxyethoxy)-N-(1-thiophen-2-ylethyl)pyridin-3-amine
CID 43688399

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine?
The IUPAC name of 6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine (CID 94392449) is 6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine.
What is the SMILES notation for 6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine?
The canonical SMILES for 6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine is C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1cccs1.
What is the InChIKey of 6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine?
The InChIKey is XNYQSYBQSINLLL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-8(10-3-2-6-17-10)13-9-4-5-11(12-7-9)14(15)16/h2-8,13H,1H3/t8-/m1/s1.
What are the key properties of 6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine?
6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine has a molecular weight of 249.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-[(1R)-1-thiophen-2-ylethyl]pyridin-3-amine is sourced from PubChem (CID 94392449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).