N-(3-iodo-2-pyridinyl)nitramide

C5H4IN3O2 — CID 119093198

IUPACN-(3-iodo-2-pyridinyl)nitramide
SMILESO=[N+]([O-])Nc1ncccc1I
InChIInChI=1S/C5H4IN3O2/c6-4-2-1-3-7-5(4)8-9(10)11/h1-3H,(H,7,8)
InChIKeyFXXSGHGKKWOSAO-UHFFFAOYSA-N
MW265.01 g/mol
LogP1.29
Rot. Bonds2

About N-(3-iodo-2-pyridinyl)nitramide

N-(3-iodo-2-pyridinyl)nitramide (PubChem CID 119093198) has the molecular formula C5H4IN3O2 and a molecular weight of 265.01 g/mol. Its IUPAC name is N-(3-iodo-2-pyridinyl)nitramide.

Molecular Properties

Compound NameN-(3-iodo-2-pyridinyl)nitramide
PubChem CID119093198
Molecular FormulaC5H4IN3O2
Molecular Weight265.01 g/mol
Exact Mass264.93
IUPAC NameN-(3-iodo-2-pyridinyl)nitramide
SMILESO=[N+]([O-])Nc1ncccc1I
InChIInChI=1S/C5H4IN3O2/c6-4-2-1-3-7-5(4)8-9(10)11/h1-3H,(H,7,8)
InChIKeyFXXSGHGKKWOSAO-UHFFFAOYSA-N
XLogP1.29
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.01
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'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-(2-nitramido-3-pyridinyl)nitramide
CID 15047297
N-(3-methyl-2-pyridinyl)nitramide
CID 572095
N-(3,4-dimethyl-2-pyridinyl)nitramide
CID 174290384
N-tert-butyl-3-iodopyridin-2-amine
CID 163216156
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
N-methyl-3-nitropyridin-2-amine
CID 556349
(2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide
CID 130621810
(2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol
CID 130736106
1-[(3-iodo-2-pyridinyl)amino]propan-2-ol
CID 130724684
2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid
CID 122060951
6-iodo-5-nitroquinoline
CID 119093453
7-iodo-8-nitroquinoline
CID 133062974

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-2-pyridinyl)nitramide?
The IUPAC name of N-(3-iodo-2-pyridinyl)nitramide (CID 119093198) is N-(3-iodo-2-pyridinyl)nitramide.
What is the SMILES notation for N-(3-iodo-2-pyridinyl)nitramide?
The canonical SMILES for N-(3-iodo-2-pyridinyl)nitramide is O=[N+]([O-])Nc1ncccc1I.
What is the InChIKey of N-(3-iodo-2-pyridinyl)nitramide?
The InChIKey is FXXSGHGKKWOSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4IN3O2/c6-4-2-1-3-7-5(4)8-9(10)11/h1-3H,(H,7,8).
What are the key properties of N-(3-iodo-2-pyridinyl)nitramide?
N-(3-iodo-2-pyridinyl)nitramide has a molecular weight of 265.01 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-2-pyridinyl)nitramide is sourced from PubChem (CID 119093198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).