4-iodo-2-methoxy-3-[2-(2-nitrophenyl)ethenyl]pyridine;2-(4-iodo-2-methoxy-3-pyridinyl)-1H-indole

C28H22I2N4O4 — CID 69186262

IUPAC4-iodo-2-methoxy-3-[2-(2-nitrophenyl)ethenyl]pyridine;2-(4-iodo-2-methoxy-3-pyridinyl)-1H-indole
SMILESCOc1nccc(I)c1-c1cc2ccccc2[nH]1.COc1nccc(I)c1C=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H11IN2O3.C14H11IN2O/c1-20-14-11(12(15)8-9-16-14)7-6-10-4-2-3-5-13(10)17(18)19;1-18-14-13(10(15)6-7-16-14)12-8-9-4-2-3-5-11(9)17-12/h2-9H,1H3;2-8,17H,1H3
InChIKeyIMRHWEOUJHWTPK-UHFFFAOYSA-N
MW732.32 g/mol
LogP7.62
Rot. Bonds6

About 4-iodo-2-methoxy-3-[2-(2-nitrophenyl)ethenyl]pyridine;2-(4-iodo-2-methoxy-3-pyridinyl)-1H-indole

4-iodo-2-methoxy-3-[2-(2-nitrophenyl)ethenyl]pyridine;2-(4-iodo-2-methoxy-3-pyridinyl)-1H-indole (PubChem CID 69186262) has the molecular formula C28H22I2N4O4 and a molecular weight of 732.32 g/mol. Its IUPAC name is 4-iodo-2-methoxy-3-[2-(2-nitrophenyl)ethenyl]pyridine;2-(4-iodo-2-methoxy-3-pyridinyl)-1H-indole.

Molecular Properties

Compound Name4-iodo-2-methoxy-3-[2-(2-nitrophenyl)ethenyl]pyridine;2-(4-iodo-2-methoxy-3-pyridinyl)-1H-indole
PubChem CID69186262
Molecular FormulaC28H22I2N4O4
Molecular Weight732.32 g/mol
Exact Mass731.97
IUPAC Name4-iodo-2-methoxy-3-[2-(2-nitrophenyl)ethenyl]pyridine;2-(4-iodo-2-methoxy-3-pyridinyl)-1H-indole
SMILESCOc1nccc(I)c1-c1cc2ccccc2[nH]1.COc1nccc(I)c1C=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H11IN2O3.C14H11IN2O/c1-20-14-11(12(15)8-9-16-14)7-6-10-4-2-3-5-13(10)17(18)19;1-18-14-13(10(15)6-7-16-14)12-8-9-4-2-3-5-11(9)17-12/h2-9H,1H3;2-8,17H,1H3
InChIKeyIMRHWEOUJHWTPK-UHFFFAOYSA-N
XLogP7.62
TPSA103.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.32
LogP ≤ 57.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

tert-butyl N-[4-[(E)-2-(4-iodo-2-methoxy-3-pyridinyl)ethenyl]-2-methoxy-5-nitrophenyl]carbamate
CID 90102638
3-(1H-indol-2-yl)-2-methoxyquinoline
CID 86101824
2-methoxy-3-[(E)-2-(5-methyl-2-nitrophenyl)ethenyl]quinoline
CID 11738716
1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene
CID 73187719
3-[(E)-2-(5-chloro-2-nitrophenyl)ethenyl]-2-methoxyquinoline
CID 11405090
1-[3-(1H-indol-2-yl)-2-methoxy-4-pyridinyl]-2-phenylethanamine
CID 69187241
2-[(E)-2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethenyl]-1H-indole
CID 91989033
1-[3-(4-methoxyphenyl)-3-[1-(4-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enyl]sulfonylprop-1-enyl]-2-nitrobenzene
CID 173033126
1-[(E)-3-(4-methoxyphenyl)-3-[(E)-1-(4-methoxyphenyl)-3-(2-nitrophenyl)prop-2-enyl]sulfonylprop-1-enyl]-2-nitrobenzene
CID 87211098
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
2-[2-(2-nitrophenyl)ethenyl]-1,3-oxazole
CID 175956037
(E)-3-(2-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 6214037

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-methoxy-3-[2-(2-nitrophenyl)ethenyl]pyridine;2-(4-iodo-2-methoxy-3-pyridinyl)-1H-indole?
The IUPAC name of 4-iodo-2-methoxy-3-[2-(2-nitrophenyl)ethenyl]pyridine;2-(4-iodo-2-methoxy-3-pyridinyl)-1H-indole (CID 69186262) is 4-iodo-2-methoxy-3-[2-(2-nitrophenyl)ethenyl]pyridine;2-(4-iodo-2-methoxy-3-pyridinyl)-1H-indole.
What is the SMILES notation for 4-iodo-2-methoxy-3-[2-(2-nitrophenyl)ethenyl]pyridine;2-(4-iodo-2-methoxy-3-pyridinyl)-1H-indole?
The canonical SMILES for 4-iodo-2-methoxy-3-[2-(2-nitrophenyl)ethenyl]pyridine;2-(4-iodo-2-methoxy-3-pyridinyl)-1H-indole is COc1nccc(I)c1-c1cc2ccccc2[nH]1.COc1nccc(I)c1C=Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-iodo-2-methoxy-3-[2-(2-nitrophenyl)ethenyl]pyridine;2-(4-iodo-2-methoxy-3-pyridinyl)-1H-indole?
The InChIKey is IMRHWEOUJHWTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O3.C14H11IN2O/c1-20-14-11(12(15)8-9-16-14)7-6-10-4-2-3-5-13(10)17(18)19;1-18-14-13(10(15)6-7-16-14)12-8-9-4-2-3-5-11(9)17-12/h2-9H,1H3;2-8,17H,1H3.
What are the key properties of 4-iodo-2-methoxy-3-[2-(2-nitrophenyl)ethenyl]pyridine;2-(4-iodo-2-methoxy-3-pyridinyl)-1H-indole?
4-iodo-2-methoxy-3-[2-(2-nitrophenyl)ethenyl]pyridine;2-(4-iodo-2-methoxy-3-pyridinyl)-1H-indole has a molecular weight of 732.32 g/mol, XLogP of 7.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methoxy-3-[2-(2-nitrophenyl)ethenyl]pyridine;2-(4-iodo-2-methoxy-3-pyridinyl)-1H-indole is sourced from PubChem (CID 69186262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).