N-(5-nitroso-6H-pyrrolo[3,4-b]pyridin-7-yl)hydroxylamine

C7H6N4O2 — CID 131241595

IUPACN-(5-nitroso-6H-pyrrolo[3,4-b]pyridin-7-yl)hydroxylamine
SMILESO=Nc1[nH]c(NO)c2ncccc12
InChIInChI=1S/C7H6N4O2/c12-10-6-4-2-1-3-8-5(4)7(9-6)11-13/h1-3,9,11,13H
InChIKeyUHKMXAZVCGRMRO-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.76
Rot. Bonds2

About N-(5-nitroso-6H-pyrrolo[3,4-b]pyridin-7-yl)hydroxylamine

N-(5-nitroso-6H-pyrrolo[3,4-b]pyridin-7-yl)hydroxylamine (PubChem CID 131241595) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is N-(5-nitroso-6H-pyrrolo[3,4-b]pyridin-7-yl)hydroxylamine.

Molecular Properties

Compound NameN-(5-nitroso-6H-pyrrolo[3,4-b]pyridin-7-yl)hydroxylamine
PubChem CID131241595
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC NameN-(5-nitroso-6H-pyrrolo[3,4-b]pyridin-7-yl)hydroxylamine
SMILESO=Nc1[nH]c(NO)c2ncccc12
InChIInChI=1S/C7H6N4O2/c12-10-6-4-2-1-3-8-5(4)7(9-6)11-13/h1-3,9,11,13H
InChIKeyUHKMXAZVCGRMRO-UHFFFAOYSA-N
XLogP1.76
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-nitroso-6H-pyrrolo[3,4-b]pyridin-7-yl)hydroxylamine?
The IUPAC name of N-(5-nitroso-6H-pyrrolo[3,4-b]pyridin-7-yl)hydroxylamine (CID 131241595) is N-(5-nitroso-6H-pyrrolo[3,4-b]pyridin-7-yl)hydroxylamine.
What is the SMILES notation for N-(5-nitroso-6H-pyrrolo[3,4-b]pyridin-7-yl)hydroxylamine?
The canonical SMILES for N-(5-nitroso-6H-pyrrolo[3,4-b]pyridin-7-yl)hydroxylamine is O=Nc1[nH]c(NO)c2ncccc12.
What is the InChIKey of N-(5-nitroso-6H-pyrrolo[3,4-b]pyridin-7-yl)hydroxylamine?
The InChIKey is UHKMXAZVCGRMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c12-10-6-4-2-1-3-8-5(4)7(9-6)11-13/h1-3,9,11,13H.
What are the key properties of N-(5-nitroso-6H-pyrrolo[3,4-b]pyridin-7-yl)hydroxylamine?
N-(5-nitroso-6H-pyrrolo[3,4-b]pyridin-7-yl)hydroxylamine has a molecular weight of 178.15 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitroso-6H-pyrrolo[3,4-b]pyridin-7-yl)hydroxylamine is sourced from PubChem (CID 131241595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).