4-amino-2-(3-nitrophenyl)thieno[3,2-c]pyridine-7-carboxylic acid

C14H9N3O4S — CID 91022180

IUPAC4-amino-2-(3-nitrophenyl)thieno[3,2-c]pyridine-7-carboxylic acid
SMILESNc1ncc(C(=O)O)c2sc(-c3cccc([N+](=O)[O-])c3)cc12
InChIInChI=1S/C14H9N3O4S/c15-13-9-5-11(7-2-1-3-8(4-7)17(20)21)22-12(9)10(6-16-13)14(18)19/h1-6H,(H2,15,16)(H,18,19)
InChIKeyOSJOERNKGDQMQM-UHFFFAOYSA-N
MW315.31 g/mol
LogP3.15
Rot. Bonds3

About 4-amino-2-(3-nitrophenyl)thieno[3,2-c]pyridine-7-carboxylic acid

4-amino-2-(3-nitrophenyl)thieno[3,2-c]pyridine-7-carboxylic acid (PubChem CID 91022180) has the molecular formula C14H9N3O4S and a molecular weight of 315.31 g/mol. Its IUPAC name is 4-amino-2-(3-nitrophenyl)thieno[3,2-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(3-nitrophenyl)thieno[3,2-c]pyridine-7-carboxylic acid
PubChem CID91022180
Molecular FormulaC14H9N3O4S
Molecular Weight315.31 g/mol
Exact Mass315.03
IUPAC Name4-amino-2-(3-nitrophenyl)thieno[3,2-c]pyridine-7-carboxylic acid
SMILESNc1ncc(C(=O)O)c2sc(-c3cccc([N+](=O)[O-])c3)cc12
InChIInChI=1S/C14H9N3O4S/c15-13-9-5-11(7-2-1-3-8(4-7)17(20)21)22-12(9)10(6-16-13)14(18)19/h1-6H,(H2,15,16)(H,18,19)
InChIKeyOSJOERNKGDQMQM-UHFFFAOYSA-N
XLogP3.15
TPSA119.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3-nitrophenyl)pyrimidine-5-carboxylic acid
CID 19900994
2-chloro-5-(3-nitrophenyl)pyridine-4-carboxylic acid
CID 53223280
2-nitro-4-(3-nitrophenyl)benzoic acid
CID 53226350
4-amino-2-[4-(2-hydroxyethoxy)phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 23585661
5-acetyl-2-(3-nitrophenyl)pyrimidine-4-carboxylic acid
CID 82170334
7-methyl-2-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371069
4-(3-nitroanilino)thieno[2,3-b]pyridine-5-carboxylic acid
CID 44561823
4-(3-nitrobenzoyl)-2-phenylpyrimidine-5-carboxylic acid
CID 10450464
2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol
CID 158238008
1-[4-(3-nitrophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039214
5-(3-nitrophenyl)furan-3-carboxylic acid
CID 90487469
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-nitrophenyl)thieno[3,2-c]pyridine-7-carboxylic acid?
The IUPAC name of 4-amino-2-(3-nitrophenyl)thieno[3,2-c]pyridine-7-carboxylic acid (CID 91022180) is 4-amino-2-(3-nitrophenyl)thieno[3,2-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 4-amino-2-(3-nitrophenyl)thieno[3,2-c]pyridine-7-carboxylic acid?
The canonical SMILES for 4-amino-2-(3-nitrophenyl)thieno[3,2-c]pyridine-7-carboxylic acid is Nc1ncc(C(=O)O)c2sc(-c3cccc([N+](=O)[O-])c3)cc12.
What is the InChIKey of 4-amino-2-(3-nitrophenyl)thieno[3,2-c]pyridine-7-carboxylic acid?
The InChIKey is OSJOERNKGDQMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O4S/c15-13-9-5-11(7-2-1-3-8(4-7)17(20)21)22-12(9)10(6-16-13)14(18)19/h1-6H,(H2,15,16)(H,18,19).
What are the key properties of 4-amino-2-(3-nitrophenyl)thieno[3,2-c]pyridine-7-carboxylic acid?
4-amino-2-(3-nitrophenyl)thieno[3,2-c]pyridine-7-carboxylic acid has a molecular weight of 315.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-nitrophenyl)thieno[3,2-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 91022180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).