(E)-2-chloro-3-imino-1-(2-methoxy-5-nitro-3-pyridinyl)-N,N-dimethylprop-1-en-1-amine

C11H13ClN4O3 — CID 89325935

IUPAC(E)-2-chloro-3-imino-1-(2-methoxy-5-nitro-3-pyridinyl)-N,N-dimethylprop-1-en-1-amine
SMILES[H]/N=C/C(Cl)=C(/c1cc([N+](=O)[O-])cnc1OC)N(C)C
InChIInChI=1S/C11H13ClN4O3/c1-15(2)10(9(12)5-13)8-4-7(16(17)18)6-14-11(8)19-3/h4-6,13H,1-3H3/b10-9+,13-5+
InChIKeyDRFXPPVYVBSJHY-WLQVBUEZSA-N
MW284.70 g/mol
LogP2.12
Rot. Bonds5

About (E)-2-chloro-3-imino-1-(2-methoxy-5-nitro-3-pyridinyl)-N,N-dimethylprop-1-en-1-amine

(E)-2-chloro-3-imino-1-(2-methoxy-5-nitro-3-pyridinyl)-N,N-dimethylprop-1-en-1-amine (PubChem CID 89325935) has the molecular formula C11H13ClN4O3 and a molecular weight of 284.70 g/mol. Its IUPAC name is (E)-2-chloro-3-imino-1-(2-methoxy-5-nitro-3-pyridinyl)-N,N-dimethylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-chloro-3-imino-1-(2-methoxy-5-nitro-3-pyridinyl)-N,N-dimethylprop-1-en-1-amine
PubChem CID89325935
Molecular FormulaC11H13ClN4O3
Molecular Weight284.70 g/mol
Exact Mass284.07
IUPAC Name(E)-2-chloro-3-imino-1-(2-methoxy-5-nitro-3-pyridinyl)-N,N-dimethylprop-1-en-1-amine
SMILES[H]/N=C/C(Cl)=C(/c1cc([N+](=O)[O-])cnc1OC)N(C)C
InChIInChI=1S/C11H13ClN4O3/c1-15(2)10(9(12)5-13)8-4-7(16(17)18)6-14-11(8)19-3/h4-6,13H,1-3H3/b10-9+,13-5+
InChIKeyDRFXPPVYVBSJHY-WLQVBUEZSA-N
XLogP2.12
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 52.12
H-Bond Donors ≤ 51
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 (E)-2-chloro-3-imino-1-(2-methoxy-5-nitro-3-pyridinyl)-N,N-dimethylprop-1-en-1-amine with MolForge

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Related Compounds

2-methoxy-5-nitropyridine-3-carboximidamide
CID 20715089
2-methoxy-5-nitro-3-propan-2-ylpyridine
CID 175836556
3-(2,6-dichlorophenyl)-2-methoxy-5-nitropyridine
CID 133087502
3-(2,5-dichlorophenyl)-2-methoxy-5-nitropyridine
CID 133087531
methyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate
CID 114046355
methyl 4-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]butanoate
CID 103803627
2-chloro-5-nitropyridine-3-carboxylic acid;ethane
CID 142859548
N-butyl-2-chloro-N-methyl-5-nitropyridine-3-carboxamide
CID 103803326
3-methanimidoyl-5-nitropyridin-2-amine
CID 143860355
2-[1-(dimethylamino)propan-2-yloxy]-5-nitropyridine-3-carboxylic acid
CID 112741290
5-chloro-2-methoxy-3-nitropyridine chloride
CID 164593887
N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169466073

Frequently Asked Questions

What is the IUPAC name of (E)-2-chloro-3-imino-1-(2-methoxy-5-nitro-3-pyridinyl)-N,N-dimethylprop-1-en-1-amine?
The IUPAC name of (E)-2-chloro-3-imino-1-(2-methoxy-5-nitro-3-pyridinyl)-N,N-dimethylprop-1-en-1-amine (CID 89325935) is (E)-2-chloro-3-imino-1-(2-methoxy-5-nitro-3-pyridinyl)-N,N-dimethylprop-1-en-1-amine.
What is the SMILES notation for (E)-2-chloro-3-imino-1-(2-methoxy-5-nitro-3-pyridinyl)-N,N-dimethylprop-1-en-1-amine?
The canonical SMILES for (E)-2-chloro-3-imino-1-(2-methoxy-5-nitro-3-pyridinyl)-N,N-dimethylprop-1-en-1-amine is [H]/N=C/C(Cl)=C(/c1cc([N+](=O)[O-])cnc1OC)N(C)C.
What is the InChIKey of (E)-2-chloro-3-imino-1-(2-methoxy-5-nitro-3-pyridinyl)-N,N-dimethylprop-1-en-1-amine?
The InChIKey is DRFXPPVYVBSJHY-WLQVBUEZSA-N. The full InChI is InChI=1S/C11H13ClN4O3/c1-15(2)10(9(12)5-13)8-4-7(16(17)18)6-14-11(8)19-3/h4-6,13H,1-3H3/b10-9+,13-5+.
What are the key properties of (E)-2-chloro-3-imino-1-(2-methoxy-5-nitro-3-pyridinyl)-N,N-dimethylprop-1-en-1-amine?
(E)-2-chloro-3-imino-1-(2-methoxy-5-nitro-3-pyridinyl)-N,N-dimethylprop-1-en-1-amine has a molecular weight of 284.70 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloro-3-imino-1-(2-methoxy-5-nitro-3-pyridinyl)-N,N-dimethylprop-1-en-1-amine is sourced from PubChem (CID 89325935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).