N-[3-(furan-2-yl)-5-nitrophenoxy]-1-pyridin-3-ylethanimine

C17H13N3O4 — CID 168526988

IUPACN-[3-(furan-2-yl)-5-nitrophenoxy]-1-pyridin-3-ylethanimine
SMILESCC(=NOc1cc(-c2ccco2)cc([N+](=O)[O-])c1)c1cccnc1
InChIInChI=1S/C17H13N3O4/c1-12(13-4-2-6-18-11-13)19-24-16-9-14(17-5-3-7-23-17)8-15(10-16)20(21)22/h2-11H,1H3
InChIKeySWMXSKGYAIGZQZ-UHFFFAOYSA-N
MW323.31 g/mol
LogP4.05
Rot. Bonds5

About N-[3-(furan-2-yl)-5-nitrophenoxy]-1-pyridin-3-ylethanimine

N-[3-(furan-2-yl)-5-nitrophenoxy]-1-pyridin-3-ylethanimine (PubChem CID 168526988) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-5-nitrophenoxy]-1-pyridin-3-ylethanimine.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-5-nitrophenoxy]-1-pyridin-3-ylethanimine
PubChem CID168526988
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC NameN-[3-(furan-2-yl)-5-nitrophenoxy]-1-pyridin-3-ylethanimine
SMILESCC(=NOc1cc(-c2ccco2)cc([N+](=O)[O-])c1)c1cccnc1
InChIInChI=1S/C17H13N3O4/c1-12(13-4-2-6-18-11-13)19-24-16-9-14(17-5-3-7-23-17)8-15(10-16)20(21)22/h2-11H,1H3
InChIKeySWMXSKGYAIGZQZ-UHFFFAOYSA-N
XLogP4.05
TPSA90.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[3-(furan-2-yl)-5-nitrophenoxy]-1-pyridin-3-ylethanimine 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

1-(diaminomethylidene)-2-[3-nitro-5-(1-pyridin-3-ylethylideneamino)oxyphenyl]guanidine
CID 168604130
(Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine
CID 23584012
N-methoxy-1-pyridin-3-ylethanimine
CID 57395319
2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan
CID 168527468
(3-nitrophenyl) pyridine-3-carboxylate;hydrochloride
CID 158035461
N-(3-azido-5-nitrophenoxy)-1-(4-methylphenyl)ethanimine
CID 169325797
(3,5-dinitrophenyl)methyl pyridine-3-carboxylate
CID 88940674
N-[4-(furan-2-yl)phenyl]pyridine-3-carboxamide
CID 168526932
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide
CID 50880463
N-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide
CID 136698137
(2-iodo-5-nitrophenyl)-pyridin-3-ylmethanone
CID 134638297

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-5-nitrophenoxy]-1-pyridin-3-ylethanimine?
The IUPAC name of N-[3-(furan-2-yl)-5-nitrophenoxy]-1-pyridin-3-ylethanimine (CID 168526988) is N-[3-(furan-2-yl)-5-nitrophenoxy]-1-pyridin-3-ylethanimine.
What is the SMILES notation for N-[3-(furan-2-yl)-5-nitrophenoxy]-1-pyridin-3-ylethanimine?
The canonical SMILES for N-[3-(furan-2-yl)-5-nitrophenoxy]-1-pyridin-3-ylethanimine is CC(=NOc1cc(-c2ccco2)cc([N+](=O)[O-])c1)c1cccnc1.
What is the InChIKey of N-[3-(furan-2-yl)-5-nitrophenoxy]-1-pyridin-3-ylethanimine?
The InChIKey is SWMXSKGYAIGZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c1-12(13-4-2-6-18-11-13)19-24-16-9-14(17-5-3-7-23-17)8-15(10-16)20(21)22/h2-11H,1H3.
What are the key properties of N-[3-(furan-2-yl)-5-nitrophenoxy]-1-pyridin-3-ylethanimine?
N-[3-(furan-2-yl)-5-nitrophenoxy]-1-pyridin-3-ylethanimine has a molecular weight of 323.31 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-5-nitrophenoxy]-1-pyridin-3-ylethanimine is sourced from PubChem (CID 168526988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).