N-(5-bromo-2-pyridinyl)nitramide

C5H4BrN3O2 — CID 1237179

IUPACN-(5-bromo-2-pyridinyl)nitramide
SMILESO=[N+]([O-])Nc1ccc(Br)cn1
InChIInChI=1S/C5H4BrN3O2/c6-4-1-2-5(7-3-4)8-9(10)11/h1-3H,(H,7,8)
InChIKeyOMLCEMHLTACVLY-UHFFFAOYSA-N
MW218.01 g/mol
LogP1.45
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)nitramide

N-(5-bromo-2-pyridinyl)nitramide (PubChem CID 1237179) has the molecular formula C5H4BrN3O2 and a molecular weight of 218.01 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)nitramide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)nitramide
PubChem CID1237179
Molecular FormulaC5H4BrN3O2
Molecular Weight218.01 g/mol
Exact Mass216.95
IUPAC NameN-(5-bromo-2-pyridinyl)nitramide
SMILESO=[N+]([O-])Nc1ccc(Br)cn1
InChIInChI=1S/C5H4BrN3O2/c6-4-1-2-5(7-3-4)8-9(10)11/h1-3H,(H,7,8)
InChIKeyOMLCEMHLTACVLY-UHFFFAOYSA-N
XLogP1.45
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.01
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-pyridinyl)-5-hydroxy-2-nitrobenzamide
CID 102740957
N-(5-bromo-2-pyridinyl)formamide
CID 3267780
2-amino-N-(5-bromo-2-pyridinyl)-5-nitrobenzamide
CID 62155081
[(5-bromo-2-pyridinyl)amino]urea
CID 130626897
4-bromo-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 3811085
sodium N-(5-bromo-2-pyridinyl)nitrous amide
CID 21144863
N-(4,5-dichloro-2-pyridinyl)nitramide
CID 122446359
N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 790872
5-bromo-N-(6-methyl-5-nitro-2-pyridinyl)pyridine-2-carboxamide
CID 75513075
N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide
CID 43389509
N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 844632
iodo 2-[(5-bromo-2-pyridinyl)amino]-2-oxoacetate
CID 142914833

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)nitramide?
The IUPAC name of N-(5-bromo-2-pyridinyl)nitramide (CID 1237179) is N-(5-bromo-2-pyridinyl)nitramide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)nitramide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)nitramide is O=[N+]([O-])Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)nitramide?
The InChIKey is OMLCEMHLTACVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN3O2/c6-4-1-2-5(7-3-4)8-9(10)11/h1-3H,(H,7,8).
What are the key properties of N-(5-bromo-2-pyridinyl)nitramide?
N-(5-bromo-2-pyridinyl)nitramide has a molecular weight of 218.01 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)nitramide is sourced from PubChem (CID 1237179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).