N-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine

C7H7N3O3 — CID 137239122

IUPACN-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine
SMILESCc1cc(C=NO)ncc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O3/c1-5-2-6(3-9-11)8-4-7(5)10(12)13/h2-4,11H,1H3
InChIKeyDXHSUXSSHUTZCX-UHFFFAOYSA-N
MW181.15 g/mol
LogP1.11
Rot. Bonds2

About N-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine

N-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine (PubChem CID 137239122) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is N-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine
PubChem CID137239122
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC NameN-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine
SMILESCc1cc(C=NO)ncc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O3/c1-5-2-6(3-9-11)8-4-7(5)10(12)13/h2-4,11H,1H3
InChIKeyDXHSUXSSHUTZCX-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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Related Compounds

4-methyl-5-nitropyridine-2-carbaldehyde
CID 14570994
(NE)-N-[(3-methyl-4-nitrophenyl)methylidene]hydroxylamine
CID 59034617
4-(4-methyl-5-nitro-2-pyridinyl)but-3-en-1-amine
CID 170487275
2-(4-azidobut-1-enyl)-4-methyl-5-nitropyridine
CID 170485626
4-methyl-5-nitro-2-(trifluoromethyl)pyridine
CID 53414275
1-(4-methyl-5-nitro-2-pyridinyl)ethanone
CID 59855834
(4-methyl-5-nitro-2-pyridinyl) trifluoromethanesulfonate
CID 86079677
1-cyclopropyl-2-(4-methyl-5-nitro-2-pyridinyl)ethanone
CID 79176283
N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine
CID 161075001
2-(2,6-dimethylphenyl)-4-methyl-5-nitropyridine
CID 67152544
2-ethyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79176024
2-(2-chlorophenyl)-4-methyl-5-nitropyridine
CID 166436309

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of N-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine (CID 137239122) is N-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine is Cc1cc(C=NO)ncc1[N+](=O)[O-].
What is the InChIKey of N-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine?
The InChIKey is DXHSUXSSHUTZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c1-5-2-6(3-9-11)8-4-7(5)10(12)13/h2-4,11H,1H3.
What are the key properties of N-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine?
N-[(4-methyl-5-nitro-2-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-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 137239122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).