2-nitro-N-(2-thiophen-2-ylethyl)pyridin-4-amine

C11H11N3O2S — CID 67690075

IUPAC2-nitro-N-(2-thiophen-2-ylethyl)pyridin-4-amine
SMILESO=[N+]([O-])c1cc(NCCc2cccs2)ccn1
InChIInChI=1S/C11H11N3O2S/c15-14(16)11-8-9(3-5-13-11)12-6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2,(H,12,13)
InChIKeyZMHVSEGCTRLJGF-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.71
Rot. Bonds5

About 2-nitro-N-(2-thiophen-2-ylethyl)pyridin-4-amine

2-nitro-N-(2-thiophen-2-ylethyl)pyridin-4-amine (PubChem CID 67690075) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-nitro-N-(2-thiophen-2-ylethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-nitro-N-(2-thiophen-2-ylethyl)pyridin-4-amine
PubChem CID67690075
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name2-nitro-N-(2-thiophen-2-ylethyl)pyridin-4-amine
SMILESO=[N+]([O-])c1cc(NCCc2cccs2)ccn1
InChIInChI=1S/C11H11N3O2S/c15-14(16)11-8-9(3-5-13-11)12-6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2,(H,12,13)
InChIKeyZMHVSEGCTRLJGF-UHFFFAOYSA-N
XLogP2.71
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.71
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

4-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 23104820
3-fluoro-5-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 60877639
3-ethoxy-4-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 63670583
methyl 2-nitro-5-(2-thiophen-2-ylethylamino)benzoate
CID 36523126
3-bromo-5-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79534692
6-hydrazinyl-4-nitro-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 114071530
3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63773614
4-fluoro-5-methyl-2-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 103591460
2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 62786037
N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 29276059
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
4-N-(2-fluorophenyl)-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 22527780

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(2-thiophen-2-ylethyl)pyridin-4-amine?
The IUPAC name of 2-nitro-N-(2-thiophen-2-ylethyl)pyridin-4-amine (CID 67690075) is 2-nitro-N-(2-thiophen-2-ylethyl)pyridin-4-amine.
What is the SMILES notation for 2-nitro-N-(2-thiophen-2-ylethyl)pyridin-4-amine?
The canonical SMILES for 2-nitro-N-(2-thiophen-2-ylethyl)pyridin-4-amine is O=[N+]([O-])c1cc(NCCc2cccs2)ccn1.
What is the InChIKey of 2-nitro-N-(2-thiophen-2-ylethyl)pyridin-4-amine?
The InChIKey is ZMHVSEGCTRLJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-14(16)11-8-9(3-5-13-11)12-6-4-10-2-1-7-17-10/h1-3,5,7-8H,4,6H2,(H,12,13).
What are the key properties of 2-nitro-N-(2-thiophen-2-ylethyl)pyridin-4-amine?
2-nitro-N-(2-thiophen-2-ylethyl)pyridin-4-amine has a molecular weight of 249.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-(2-thiophen-2-ylethyl)pyridin-4-amine is sourced from PubChem (CID 67690075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).