sodium;hydride;5-methoxy-6-nitropyridine-3-thiol

C6H7N2NaO3S — CID 175577892

IUPACsodium;hydride;5-methoxy-6-nitropyridine-3-thiol
SMILESCOc1cc(S)cnc1[N+](=O)[O-].[H-].[Na+]
InChIInChI=1S/C6H6N2O3S.Na.H/c1-11-5-2-4(12)3-7-6(5)8(9)10;;/h2-3,12H,1H3;;/q;+1;-1
InChIKeyMUDOTQGEXULUOU-UHFFFAOYSA-N
MW210.19 g/mol
LogP-1.60
Rot. Bonds2

About sodium;hydride;5-methoxy-6-nitropyridine-3-thiol

sodium;hydride;5-methoxy-6-nitropyridine-3-thiol (PubChem CID 175577892) has the molecular formula C6H7N2NaO3S and a molecular weight of 210.19 g/mol. Its IUPAC name is sodium;hydride;5-methoxy-6-nitropyridine-3-thiol.

Molecular Properties

Compound Namesodium;hydride;5-methoxy-6-nitropyridine-3-thiol
PubChem CID175577892
Molecular FormulaC6H7N2NaO3S
Molecular Weight210.19 g/mol
Exact Mass210.01
IUPAC Namesodium;hydride;5-methoxy-6-nitropyridine-3-thiol
SMILESCOc1cc(S)cnc1[N+](=O)[O-].[H-].[Na+]
InChIInChI=1S/C6H6N2O3S.Na.H/c1-11-5-2-4(12)3-7-6(5)8(9)10;;/h2-3,12H,1H3;;/q;+1;-1
InChIKeyMUDOTQGEXULUOU-UHFFFAOYSA-N
XLogP-1.60
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-1.60
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 140621922
3-methoxy-2-nitro-5-(2,3,6-trichlorophenyl)pyridine
CID 133087496
3-methoxy-2-nitropyridine
CID 556063
2-[(1R)-1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole
CID 164859458
2-[1-[(5-bromo-2-nitro-3-pyridinyl)oxy]ethyl]-1,3-thiazole
CID 170429338
5-methoxy-2-nitropyridin-3-amine
CID 91619049
3-iodo-5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine
CID 134679652
3-methoxy-4-methyl-2-nitro-5-(trifluoromethoxy)pyridine
CID 134666045
3-bromo-5-ethoxy-2-nitropyridine
CID 130631784
3-methoxy-N-methyl-5-nitropyridin-2-amine
CID 90022055
6-(chloromethyl)-4-methoxy-2-nitro-3-(trifluoromethoxy)pyridine
CID 134660622
4-chloro-5-methoxy-2-nitropyridine
CID 118850680

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;5-methoxy-6-nitropyridine-3-thiol?
The IUPAC name of sodium;hydride;5-methoxy-6-nitropyridine-3-thiol (CID 175577892) is sodium;hydride;5-methoxy-6-nitropyridine-3-thiol.
What is the SMILES notation for sodium;hydride;5-methoxy-6-nitropyridine-3-thiol?
The canonical SMILES for sodium;hydride;5-methoxy-6-nitropyridine-3-thiol is COc1cc(S)cnc1[N+](=O)[O-].[H-].[Na+].
What is the InChIKey of sodium;hydride;5-methoxy-6-nitropyridine-3-thiol?
The InChIKey is MUDOTQGEXULUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3S.Na.H/c1-11-5-2-4(12)3-7-6(5)8(9)10;;/h2-3,12H,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;5-methoxy-6-nitropyridine-3-thiol?
sodium;hydride;5-methoxy-6-nitropyridine-3-thiol has a molecular weight of 210.19 g/mol, XLogP of -1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;5-methoxy-6-nitropyridine-3-thiol is sourced from PubChem (CID 175577892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).