N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine

C13H11N3O3 — CID 3058440

IUPACN-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine
SMILESCOc1cc([N+](=O)[O-])ccc1/N=C/c1ccncc1
InChIInChI=1S/C13H11N3O3/c1-19-13-8-11(16(17)18)2-3-12(13)15-9-10-4-6-14-7-5-10/h2-9H,1H3/b15-9+
InChIKeyKKTPOHVCUDRPPV-OQLLNIDSSA-N
MW257.25 g/mol
LogP2.75
Rot. Bonds4

About N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine

N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine (PubChem CID 3058440) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine
PubChem CID3058440
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC NameN-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine
SMILESCOc1cc([N+](=O)[O-])ccc1/N=C/c1ccncc1
InChIInChI=1S/C13H11N3O3/c1-19-13-8-11(16(17)18)2-3-12(13)15-9-10-4-6-14-7-5-10/h2-9H,1H3/b15-9+
InChIKeyKKTPOHVCUDRPPV-OQLLNIDSSA-N
XLogP2.75
TPSA77.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 693735
1-[3-methoxy-4-(3-methylbutoxy)phenyl]-N-(2-methoxy-4-nitrophenyl)methanimine
CID 23875814
2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol
CID 4305611
2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595
3-hydroxy-2-[(2-methoxy-4-nitrophenyl)iminomethyl]-5,5-dimethylcyclohex-2-en-1-one
CID 135401765
3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol
CID 5060153
N-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)methanimine
CID 964364
1,3-diethyl-6-hydroxy-5-[(2-methoxy-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione
CID 4624154
N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine
CID 792021
1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 5036579
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine
CID 56694143
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine (CID 3058440) is N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine is COc1cc([N+](=O)[O-])ccc1/N=C/c1ccncc1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine?
The InChIKey is KKTPOHVCUDRPPV-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-19-13-8-11(16(17)18)2-3-12(13)15-9-10-4-6-14-7-5-10/h2-9H,1H3/b15-9+.
What are the key properties of N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine?
N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine has a molecular weight of 257.25 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine is sourced from PubChem (CID 3058440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).