(E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine

C10H11F2N3O3 — CID 162421572

IUPAC(E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine
SMILESCN(C)/C=C/c1ncc(OC(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11F2N3O3/c1-14(2)4-3-8-9(15(16)17)5-7(6-13-8)18-10(11)12/h3-6,10H,1-2H3/b4-3+
InChIKeySFBUQEOMFVYODL-ONEGZZNKSA-N
MW259.21 g/mol
LogP2.12
Rot. Bonds5

About (E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine

(E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine (PubChem CID 162421572) has the molecular formula C10H11F2N3O3 and a molecular weight of 259.21 g/mol. Its IUPAC name is (E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine
PubChem CID162421572
Molecular FormulaC10H11F2N3O3
Molecular Weight259.21 g/mol
Exact Mass259.08
IUPAC Name(E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine
SMILESCN(C)/C=C/c1ncc(OC(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11F2N3O3/c1-14(2)4-3-8-9(15(16)17)5-7(6-13-8)18-10(11)12/h3-6,10H,1-2H3/b4-3+
InChIKeySFBUQEOMFVYODL-ONEGZZNKSA-N
XLogP2.12
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 52.12
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'}

Analyze (E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine 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

(E)-2-[2-(difluoromethoxy)-6-nitrophenyl]-N,N-dimethylethenamine
CID 88921202
(E)-2-(5-bromo-6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethenamine
CID 166021888
2-(difluoromethyl)-5-methoxy-3-nitropyridine
CID 118843391
2-(difluoromethoxy)-4-methyl-5-nitropyridine
CID 171503638
(E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine
CID 87240394
4-(difluoromethoxy)-2-nitroaniline
CID 15906034
methyl 4-[(E)-2-(dimethylamino)ethenyl]-5-nitropyridine-2-carboxylate
CID 86602115
2-chloro-4-(difluoromethoxy)-6-nitrobenzaldehyde
CID 171005098
5-(difluoromethyl)-3-nitropyridine-2-carbaldehyde
CID 130097976
1-[4-(difluoromethoxy)-2-nitrophenyl]propan-2-one
CID 118813264
4-(difluoromethoxy)-2-nitro-1-(trifluoromethyl)benzene
CID 71669510
4-bromo-2-(difluoromethoxy)-5-nitropyridine
CID 118800660

Frequently Asked Questions

What is the IUPAC name of (E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine?
The IUPAC name of (E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine (CID 162421572) is (E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine.
What is the SMILES notation for (E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine?
The canonical SMILES for (E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine is CN(C)/C=C/c1ncc(OC(F)F)cc1[N+](=O)[O-].
What is the InChIKey of (E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine?
The InChIKey is SFBUQEOMFVYODL-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H11F2N3O3/c1-14(2)4-3-8-9(15(16)17)5-7(6-13-8)18-10(11)12/h3-6,10H,1-2H3/b4-3+.
What are the key properties of (E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine?
(E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine has a molecular weight of 259.21 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine is sourced from PubChem (CID 162421572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).