sodium N-(5-bromo-2-pyridinyl)nitrous amide

C5H4BrN3NaO+ — CID 21144863

IUPACsodium N-(5-bromo-2-pyridinyl)nitrous amide
SMILESO=NNc1ccc(Br)cn1.[Na+]
InChIInChI=1S/C5H4BrN3O.Na/c6-4-1-2-5(7-3-4)8-9-10;/h1-3H,(H,7,8,10);/q;+1
InChIKeySIRKMQSTJMJKRM-UHFFFAOYSA-N
MW225.00 g/mol
LogP-1.06
Rot. Bonds2

About sodium N-(5-bromo-2-pyridinyl)nitrous amide

sodium N-(5-bromo-2-pyridinyl)nitrous amide (PubChem CID 21144863) has the molecular formula C5H4BrN3NaO+ and a molecular weight of 225.00 g/mol. Its IUPAC name is sodium N-(5-bromo-2-pyridinyl)nitrous amide.

Molecular Properties

Compound Namesodium N-(5-bromo-2-pyridinyl)nitrous amide
PubChem CID21144863
Molecular FormulaC5H4BrN3NaO+
Molecular Weight225.00 g/mol
Exact Mass223.94
IUPAC Namesodium N-(5-bromo-2-pyridinyl)nitrous amide
SMILESO=NNc1ccc(Br)cn1.[Na+]
InChIInChI=1S/C5H4BrN3O.Na/c6-4-1-2-5(7-3-4)8-9-10;/h1-3H,(H,7,8,10);/q;+1
InChIKeySIRKMQSTJMJKRM-UHFFFAOYSA-N
XLogP-1.06
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.00
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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5-bromo-N-[(E)-prop-1-enyl]pyridin-2-amine
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Frequently Asked Questions

What is the IUPAC name of sodium N-(5-bromo-2-pyridinyl)nitrous amide?
The IUPAC name of sodium N-(5-bromo-2-pyridinyl)nitrous amide (CID 21144863) is sodium N-(5-bromo-2-pyridinyl)nitrous amide.
What is the SMILES notation for sodium N-(5-bromo-2-pyridinyl)nitrous amide?
The canonical SMILES for sodium N-(5-bromo-2-pyridinyl)nitrous amide is O=NNc1ccc(Br)cn1.[Na+].
What is the InChIKey of sodium N-(5-bromo-2-pyridinyl)nitrous amide?
The InChIKey is SIRKMQSTJMJKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN3O.Na/c6-4-1-2-5(7-3-4)8-9-10;/h1-3H,(H,7,8,10);/q;+1.
What are the key properties of sodium N-(5-bromo-2-pyridinyl)nitrous amide?
sodium N-(5-bromo-2-pyridinyl)nitrous amide has a molecular weight of 225.00 g/mol, XLogP of -1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(5-bromo-2-pyridinyl)nitrous amide is sourced from PubChem (CID 21144863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).