2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile

C11H7N3O2S — CID 16790602

IUPAC2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2cccc([N+](=O)[O-])c2)csc1N
InChIInChI=1S/C11H7N3O2S/c12-5-9-10(6-17-11(9)13)7-2-1-3-8(4-7)14(15)16/h1-4,6H,13H2
InChIKeyANQMZJYXJPAMMR-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.78
Rot. Bonds2

About 2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile

2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile (PubChem CID 16790602) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile
PubChem CID16790602
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2cccc([N+](=O)[O-])c2)csc1N
InChIInChI=1S/C11H7N3O2S/c12-5-9-10(6-17-11(9)13)7-2-1-3-8(4-7)14(15)16/h1-4,6H,13H2
InChIKeyANQMZJYXJPAMMR-UHFFFAOYSA-N
XLogP2.78
TPSA92.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.78
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

2-amino-5-methyl-4-(3-nitrophenyl)thiophene-3-carbonitrile
CID 154734310
2-amino-4-(4-methylphenyl)-6-(3-nitrophenyl)benzene-1,3-dicarbonitrile
CID 2772313
2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5254077
2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5209576
3-amino-5-(3-nitrophenyl)-1H-pyrazole-4-carbonitrile
CID 10633155
4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656735
2-amino-6-(4-chlorophenyl)-4-(3-nitrophenyl)pyridin-1-ium-3-carbonitrile
CID 7378069
2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5230184
3-chloro-5-(3-nitrophenyl)-1,2-thiazole-4-carbonitrile
CID 11097466
2-amino-4-(1,3-benzodioxol-5-yl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5254075
2-amino-4-(3-chlorophenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5258575
2-hydroxy-4-(3-nitrophenyl)benzonitrile
CID 53219988

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile (CID 16790602) is 2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile is N#Cc1c(-c2cccc([N+](=O)[O-])c2)csc1N.
What is the InChIKey of 2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile?
The InChIKey is ANQMZJYXJPAMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c12-5-9-10(6-17-11(9)13)7-2-1-3-8(4-7)14(15)16/h1-4,6H,13H2.
What are the key properties of 2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile?
2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile has a molecular weight of 245.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-nitrophenyl)thiophene-3-carbonitrile is sourced from PubChem (CID 16790602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).