2-(5-iodo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine

C9H10IN3O2 — CID 141392738

IUPAC2-(5-iodo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine
SMILESCN(C)C=Cc1cc(I)cnc1[N+](=O)[O-]
InChIInChI=1S/C9H10IN3O2/c1-12(2)4-3-7-5-8(10)6-11-9(7)13(14)15/h3-6H,1-2H3
InChIKeyUCIRICQUAOUKRB-UHFFFAOYSA-N
MW319.10 g/mol
LogP2.13
Rot. Bonds3

About 2-(5-iodo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine

2-(5-iodo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine (PubChem CID 141392738) has the molecular formula C9H10IN3O2 and a molecular weight of 319.10 g/mol. Its IUPAC name is 2-(5-iodo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name2-(5-iodo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine
PubChem CID141392738
Molecular FormulaC9H10IN3O2
Molecular Weight319.10 g/mol
Exact Mass318.98
IUPAC Name2-(5-iodo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine
SMILESCN(C)C=Cc1cc(I)cnc1[N+](=O)[O-]
InChIInChI=1S/C9H10IN3O2/c1-12(2)4-3-7-5-8(10)6-11-9(7)13(14)15/h3-6H,1-2H3
InChIKeyUCIRICQUAOUKRB-UHFFFAOYSA-N
XLogP2.13
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.10
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine
CID 141392740
2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine
CID 72526990
(E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine
CID 59140662
5-[(E)-2-chloroethenyl]-6-nitropyridin-3-amine
CID 19034973
N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine
CID 123915141
methyl 4-[(E)-2-(dimethylamino)ethenyl]-5-nitropyridine-2-carboxylate
CID 86602115
(E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine
CID 87240394
(E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine
CID 11310699
tert-butyl N-[4-[(E)-2-(dimethylamino)ethenyl]-5-nitro-2-pyridinyl]carbamate
CID 142529079
(E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine
CID 91001187
(E)-N,N-dimethyl-2-(7-nitro-1H-indazol-4-yl)ethenamine
CID 22165970
N,N-dimethyl-2-(5-nitroisoquinolin-6-yl)ethenamine
CID 123921609

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine?
The IUPAC name of 2-(5-iodo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine (CID 141392738) is 2-(5-iodo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine.
What is the SMILES notation for 2-(5-iodo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine?
The canonical SMILES for 2-(5-iodo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine is CN(C)C=Cc1cc(I)cnc1[N+](=O)[O-].
What is the InChIKey of 2-(5-iodo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine?
The InChIKey is UCIRICQUAOUKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN3O2/c1-12(2)4-3-7-5-8(10)6-11-9(7)13(14)15/h3-6H,1-2H3.
What are the key properties of 2-(5-iodo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine?
2-(5-iodo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine has a molecular weight of 319.10 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine is sourced from PubChem (CID 141392738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).