sodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide

C8H7N5NaO3+ — CID 170844614

IUPACsodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide
SMILESCOc1cc([N+](=O)[O-])ccc1/N=N/NC#N.[Na+]
InChIInChI=1S/C8H7N5O3.Na/c1-16-8-4-6(13(14)15)2-3-7(8)11-12-10-5-9;/h2-4H,1H3,(H,10,11);/q;+1
InChIKeyRWEDMBZCCHZKOF-UHFFFAOYSA-N
MW244.17 g/mol
LogP-1.32
Rot. Bonds4

About sodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide

sodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide (PubChem CID 170844614) has the molecular formula C8H7N5NaO3+ and a molecular weight of 244.17 g/mol. Its IUPAC name is sodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide.

Molecular Properties

Compound Namesodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide
PubChem CID170844614
Molecular FormulaC8H7N5NaO3+
Molecular Weight244.17 g/mol
Exact Mass244.04
IUPAC Namesodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide
SMILESCOc1cc([N+](=O)[O-])ccc1/N=N/NC#N.[Na+]
InChIInChI=1S/C8H7N5O3.Na/c1-16-8-4-6(13(14)15)2-3-7(8)11-12-10-5-9;/h2-4H,1H3,(H,10,11);/q;+1
InChIKeyRWEDMBZCCHZKOF-UHFFFAOYSA-N
XLogP-1.32
TPSA112.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxy-4-nitrophenyl)diazenyl]-4-methylaniline
CID 86081155
(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-methylbut-2-enamide
CID 135624062
(E)-3-hydroxy-2-[(2-methoxy-4-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
CID 166639984
2-methoxy-4-nitrobenzenethiol
CID 22148741
2-methoxy-4-nitrobenzoate
CID 6995516
methyl N-cyano-N'-(2-methoxy-5-nitrophenyl)carbamimidothioate
CID 169364619
2-(2-methoxy-5-nitrophenoxy)acetonitrile
CID 8946731
N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine
CID 3058440
methyl (2R)-2-(2-methoxy-4-nitrophenoxy)propanoate
CID 103337970
1-hydroxy-N-(2-methoxy-4-nitrophenyl)-3-oxoindene-2-carboximidoyl cyanide
CID 135507069
ethane;2-methoxy-4-nitrophenol
CID 91188946
methyl 2-methoxy-4-nitrobenzoate
CID 10798535

Frequently Asked Questions

What is the IUPAC name of sodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide?
The IUPAC name of sodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide (CID 170844614) is sodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide.
What is the SMILES notation for sodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide?
The canonical SMILES for sodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide is COc1cc([N+](=O)[O-])ccc1/N=N/NC#N.[Na+].
What is the InChIKey of sodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide?
The InChIKey is RWEDMBZCCHZKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O3.Na/c1-16-8-4-6(13(14)15)2-3-7(8)11-12-10-5-9;/h2-4H,1H3,(H,10,11);/q;+1.
What are the key properties of sodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide?
sodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide has a molecular weight of 244.17 g/mol, XLogP of -1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [(2-methoxy-4-nitrophenyl)diazenyl]cyanamide is sourced from PubChem (CID 170844614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).