6-[(6-nitro-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid

C11H7N3O4S — CID 61305001

IUPAC6-[(6-nitro-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Sc2ccc([N+](=O)[O-])nc2)nc1
InChIInChI=1S/C11H7N3O4S/c15-11(16)7-1-4-10(13-5-7)19-8-2-3-9(12-6-8)14(17)18/h1-6H,(H,15,16)
InChIKeyHXGGIBAPPOFUIO-UHFFFAOYSA-N
MW277.26 g/mol
LogP2.23
Rot. Bonds4

About 6-[(6-nitro-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid

6-[(6-nitro-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid (PubChem CID 61305001) has the molecular formula C11H7N3O4S and a molecular weight of 277.26 g/mol. Its IUPAC name is 6-[(6-nitro-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(6-nitro-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
PubChem CID61305001
Molecular FormulaC11H7N3O4S
Molecular Weight277.26 g/mol
Exact Mass277.02
IUPAC Name6-[(6-nitro-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Sc2ccc([N+](=O)[O-])nc2)nc1
InChIInChI=1S/C11H7N3O4S/c15-11(16)7-1-4-10(13-5-7)19-8-2-3-9(12-6-8)14(17)18/h1-6H,(H,15,16)
InChIKeyHXGGIBAPPOFUIO-UHFFFAOYSA-N
XLogP2.23
TPSA106.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
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'}

Analyze 6-[(6-nitro-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-acetylphenyl)sulfanylpyridine-3-carboxylic acid
CID 61329285
6-[(6-propanoyl-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 115938818
6-[(3-bromo-5-nitro-4-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 103519064
6-(5-fluoro-4-iodo-2-nitrophenyl)sulfanylpyridine-3-carboxylic acid
CID 66086564
6-[(6-methyl-3-nitro-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 81132972
4-[(6-nitro-3-pyridinyl)sulfanyl]aniline
CID 166064688
4-[(5-fluoro-2-pyridinyl)sulfanyl]benzoic acid
CID 61311578
6-(2,3-dimethyl-5-nitroimidazol-4-yl)sulfanylpyridine-3-carboxylic acid
CID 103554730
6-[(5-cyano-3-nitro-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 103470142
6-(5-bromopyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 55251280
5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 115491247
6-(2,5-dichlorophenyl)sulfanylpyridine-3-carboxylic acid
CID 29035627

Frequently Asked Questions

What is the IUPAC name of 6-[(6-nitro-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(6-nitro-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid (CID 61305001) is 6-[(6-nitro-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(6-nitro-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(6-nitro-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(Sc2ccc([N+](=O)[O-])nc2)nc1.
What is the InChIKey of 6-[(6-nitro-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid?
The InChIKey is HXGGIBAPPOFUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O4S/c15-11(16)7-1-4-10(13-5-7)19-8-2-3-9(12-6-8)14(17)18/h1-6H,(H,15,16).
What are the key properties of 6-[(6-nitro-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid?
6-[(6-nitro-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid has a molecular weight of 277.26 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-nitro-3-pyridinyl)sulfanyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 61305001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).