N-[(2-methyl-3-nitro-4-pyridinyl)methylidene]hydroxylamine

C7H7N3O3 — CID 137228243

IUPACN-[(2-methyl-3-nitro-4-pyridinyl)methylidene]hydroxylamine
SMILESCc1nccc(C=NO)c1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O3/c1-5-7(10(12)13)6(4-9-11)2-3-8-5/h2-4,11H,1H3
InChIKeyAHNCCLCAMWNGBY-UHFFFAOYSA-N
MW181.15 g/mol
LogP1.11
Rot. Bonds2

About N-[(2-methyl-3-nitro-4-pyridinyl)methylidene]hydroxylamine

N-[(2-methyl-3-nitro-4-pyridinyl)methylidene]hydroxylamine (PubChem CID 137228243) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is N-[(2-methyl-3-nitro-4-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-methyl-3-nitro-4-pyridinyl)methylidene]hydroxylamine
PubChem CID137228243
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC NameN-[(2-methyl-3-nitro-4-pyridinyl)methylidene]hydroxylamine
SMILESCc1nccc(C=NO)c1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O3/c1-5-7(10(12)13)6(4-9-11)2-3-8-5/h2-4,11H,1H3
InChIKeyAHNCCLCAMWNGBY-UHFFFAOYSA-N
XLogP1.11
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-[(2-methyl-3-nitro-4-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-methyl-3-nitro-4-pyridinyl)methylidene]hydroxylamine (CID 137228243) is N-[(2-methyl-3-nitro-4-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-methyl-3-nitro-4-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-methyl-3-nitro-4-pyridinyl)methylidene]hydroxylamine is Cc1nccc(C=NO)c1[N+](=O)[O-].
What is the InChIKey of N-[(2-methyl-3-nitro-4-pyridinyl)methylidene]hydroxylamine?
The InChIKey is AHNCCLCAMWNGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c1-5-7(10(12)13)6(4-9-11)2-3-8-5/h2-4,11H,1H3.
What are the key properties of N-[(2-methyl-3-nitro-4-pyridinyl)methylidene]hydroxylamine?
N-[(2-methyl-3-nitro-4-pyridinyl)methylidene]hydroxylamine has a molecular weight of 181.15 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-3-nitro-4-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 137228243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).