N-(4-methylphenyl)-4-nitro-N-oxidopyridin-3-amine

C12H10N3O3- — CID 91620669

IUPACN-(4-methylphenyl)-4-nitro-N-oxidopyridin-3-amine
SMILESCc1ccc(N([O-])c2cnccc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N3O3/c1-9-2-4-10(5-3-9)14(16)12-8-13-7-6-11(12)15(17)18/h2-8H,1H3/q-1
InChIKeyRDSWZRSQRXTYSG-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.93
Rot. Bonds3

About N-(4-methylphenyl)-4-nitro-N-oxidopyridin-3-amine

N-(4-methylphenyl)-4-nitro-N-oxidopyridin-3-amine (PubChem CID 91620669) has the molecular formula C12H10N3O3- and a molecular weight of 244.23 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-nitro-N-oxidopyridin-3-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-nitro-N-oxidopyridin-3-amine
PubChem CID91620669
Molecular FormulaC12H10N3O3-
Molecular Weight244.23 g/mol
Exact Mass244.07
IUPAC NameN-(4-methylphenyl)-4-nitro-N-oxidopyridin-3-amine
SMILESCc1ccc(N([O-])c2cnccc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N3O3/c1-9-2-4-10(5-3-9)14(16)12-8-13-7-6-11(12)15(17)18/h2-8H,1H3/q-1
InChIKeyRDSWZRSQRXTYSG-UHFFFAOYSA-N
XLogP2.93
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenyl)-4-nitropyridine
CID 70804382
4-(4-methylphenyl)-3-nitropyridine
CID 59113375
N,N-dimethyl-3-nitropyridin-4-amine
CID 3760629
4-methyl-N-(4-methyl-2-nitrophenyl)-N-(4-methylphenyl)-2-nitroaniline
CID 101413649
N-methyl-N-(2-nitrophenyl)pyridin-3-amine
CID 121011639
N-(4-methylbenzoyl)-3-nitropyridine-4-carboxamide
CID 54125573
4-tert-butyl-3-nitropyridine
CID 59463874
N-(4-nitro-3-pyridinyl)nitramide
CID 119087144
3-methyl-4-(2-nitrophenyl)pyridine
CID 603571
3-bromo-4-(5-methyl-2-nitrophenoxy)pyridine
CID 113452203
methoxymethane;4-methoxy-3-nitropyridine
CID 155689380
2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol
CID 61234932

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-nitro-N-oxidopyridin-3-amine?
The IUPAC name of N-(4-methylphenyl)-4-nitro-N-oxidopyridin-3-amine (CID 91620669) is N-(4-methylphenyl)-4-nitro-N-oxidopyridin-3-amine.
What is the SMILES notation for N-(4-methylphenyl)-4-nitro-N-oxidopyridin-3-amine?
The canonical SMILES for N-(4-methylphenyl)-4-nitro-N-oxidopyridin-3-amine is Cc1ccc(N([O-])c2cnccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-methylphenyl)-4-nitro-N-oxidopyridin-3-amine?
The InChIKey is RDSWZRSQRXTYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N3O3/c1-9-2-4-10(5-3-9)14(16)12-8-13-7-6-11(12)15(17)18/h2-8H,1H3/q-1.
What are the key properties of N-(4-methylphenyl)-4-nitro-N-oxidopyridin-3-amine?
N-(4-methylphenyl)-4-nitro-N-oxidopyridin-3-amine has a molecular weight of 244.23 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-nitro-N-oxidopyridin-3-amine is sourced from PubChem (CID 91620669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).