N-[(6-iodo-4-methyl-3-pyridinyl)methylidene]hydroxylamine

C7H7IN2O — CID 131847202

IUPACN-[(6-iodo-4-methyl-3-pyridinyl)methylidene]hydroxylamine
SMILESCc1cc(I)ncc1C=NO
InChIInChI=1S/C7H7IN2O/c1-5-2-7(8)9-3-6(5)4-10-11/h2-4,11H,1H3
InChIKeyWTZVHLMZGSBQJL-UHFFFAOYSA-N
MW262.05 g/mol
LogP1.80
Rot. Bonds1

About N-[(6-iodo-4-methyl-3-pyridinyl)methylidene]hydroxylamine

N-[(6-iodo-4-methyl-3-pyridinyl)methylidene]hydroxylamine (PubChem CID 131847202) has the molecular formula C7H7IN2O and a molecular weight of 262.05 g/mol. Its IUPAC name is N-[(6-iodo-4-methyl-3-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(6-iodo-4-methyl-3-pyridinyl)methylidene]hydroxylamine
PubChem CID131847202
Molecular FormulaC7H7IN2O
Molecular Weight262.05 g/mol
Exact Mass261.96
IUPAC NameN-[(6-iodo-4-methyl-3-pyridinyl)methylidene]hydroxylamine
SMILESCc1cc(I)ncc1C=NO
InChIInChI=1S/C7H7IN2O/c1-5-2-7(8)9-3-6(5)4-10-11/h2-4,11H,1H3
InChIKeyWTZVHLMZGSBQJL-UHFFFAOYSA-N
XLogP1.80
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-iodo-4-methyl-3-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of N-[(6-iodo-4-methyl-3-pyridinyl)methylidene]hydroxylamine (CID 131847202) is N-[(6-iodo-4-methyl-3-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(6-iodo-4-methyl-3-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(6-iodo-4-methyl-3-pyridinyl)methylidene]hydroxylamine is Cc1cc(I)ncc1C=NO.
What is the InChIKey of N-[(6-iodo-4-methyl-3-pyridinyl)methylidene]hydroxylamine?
The InChIKey is WTZVHLMZGSBQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN2O/c1-5-2-7(8)9-3-6(5)4-10-11/h2-4,11H,1H3.
What are the key properties of N-[(6-iodo-4-methyl-3-pyridinyl)methylidene]hydroxylamine?
N-[(6-iodo-4-methyl-3-pyridinyl)methylidene]hydroxylamine has a molecular weight of 262.05 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-iodo-4-methyl-3-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 131847202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).