2-[2-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

C23H20I2N4O2 — CID 77115418

IUPAC2-[2-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(NN=Cc2cc(I)cc(I)c2OCc2ccccc2)c1C#N
InChIInChI=1S/C23H20I2N4O2/c1-15-8-18(14-30-2)20(11-26)23(28-15)29-27-12-17-9-19(24)10-21(25)22(17)31-13-16-6-4-3-5-7-16/h3-10,12H,13-14H2,1-2H3,(H,28,29)
InChIKeyYZXGVHVZUNIRDP-UHFFFAOYSA-N
MW638.25 g/mol
LogP5.64
Rot. Bonds8

About 2-[2-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

2-[2-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (PubChem CID 77115418) has the molecular formula C23H20I2N4O2 and a molecular weight of 638.25 g/mol. Its IUPAC name is 2-[2-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
PubChem CID77115418
Molecular FormulaC23H20I2N4O2
Molecular Weight638.25 g/mol
Exact Mass637.97
IUPAC Name2-[2-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(NN=Cc2cc(I)cc(I)c2OCc2ccccc2)c1C#N
InChIInChI=1S/C23H20I2N4O2/c1-15-8-18(14-30-2)20(11-26)23(28-15)29-27-12-17-9-19(24)10-21(25)22(17)31-13-16-6-4-3-5-7-16/h3-10,12H,13-14H2,1-2H3,(H,28,29)
InChIKeyYZXGVHVZUNIRDP-UHFFFAOYSA-N
XLogP5.64
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.25
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 5335822
2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 135628631
2-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 6151006
4-(methoxymethyl)-6-methyl-2-[(2E)-2-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]hydrazinyl]pyridine-3-carbonitrile
CID 126222068
4-(methoxymethyl)-6-methyl-2-[(2E)-2-[(5-phenylsulfanylfuran-2-yl)methylidene]hydrazinyl]pyridine-3-carbonitrile
CID 126086963
2-[2-[(5-bromo-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 3116309
4-(methoxymethyl)-6-methyl-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]pyridine-3-carbonitrile
CID 5188586
2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 3894925
2-[(2Z)-2-[(5-bromo-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 136714309
2-[2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 3976826
2-[(2E)-2-[(2,7-diethoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 126011754
2-[2-[[3-bromo-4-[(2-cyanophenyl)methoxy]-5-ethoxyphenyl]methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 71820444

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (CID 77115418) is 2-[2-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is COCc1cc(C)nc(NN=Cc2cc(I)cc(I)c2OCc2ccccc2)c1C#N.
What is the InChIKey of 2-[2-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is YZXGVHVZUNIRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20I2N4O2/c1-15-8-18(14-30-2)20(11-26)23(28-15)29-27-12-17-9-19(24)10-21(25)22(17)31-13-16-6-4-3-5-7-16/h3-10,12H,13-14H2,1-2H3,(H,28,29).
What are the key properties of 2-[2-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
2-[2-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 638.25 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-diiodo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 77115418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).