(3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine

C10H13IN2O2 — CID 168530777

IUPAC(3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine
SMILESCCOc1cc(C=NN)cc(I)c1OC
InChIInChI=1S/C10H13IN2O2/c1-3-15-9-5-7(6-13-12)4-8(11)10(9)14-2/h4-6H,3,12H2,1-2H3
InChIKeyCYZZFCAFLKHYPN-UHFFFAOYSA-N
MW320.13 g/mol
LogP1.99
Rot. Bonds4

About (3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine

(3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine (PubChem CID 168530777) has the molecular formula C10H13IN2O2 and a molecular weight of 320.13 g/mol. Its IUPAC name is (3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine.

Molecular Properties

Compound Name(3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine
PubChem CID168530777
Molecular FormulaC10H13IN2O2
Molecular Weight320.13 g/mol
Exact Mass320.00
IUPAC Name(3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine
SMILESCCOc1cc(C=NN)cc(I)c1OC
InChIInChI=1S/C10H13IN2O2/c1-3-15-9-5-7(6-13-12)4-8(11)10(9)14-2/h4-6H,3,12H2,1-2H3
InChIKeyCYZZFCAFLKHYPN-UHFFFAOYSA-N
XLogP1.99
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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

1-(3-ethoxy-5-iodo-4-methoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 126219421
N-(2,4-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126218403
1-[(3-ethoxy-5-iodo-4-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630518
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-methoxyphenyl)methanimine
CID 126214752
3-(3-ethoxy-5-iodo-4-methoxyphenyl)prop-2-enoic acid
CID 876356
N-[(3-ethoxy-5-iodo-4-propoxyphenyl)methylidene]hydroxylamine
CID 57360358
(NZ)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 5412015
(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylidenehydrazine
CID 168530223
(15R,19R)-17-[(Z)-(3-ethoxy-5-iodo-4-methoxyphenyl)methylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 126056414
(NZ)-N-[(3-iodo-4,5-dimethoxyphenyl)methylidene]hydroxylamine
CID 5407943
2-(4-bromoanilino)-N-[(Z)-(3-ethoxy-5-iodo-4-methoxyphenyl)methylideneamino]acetamide
CID 126368878
(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidenehydrazine
CID 23861029

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine?
The IUPAC name of (3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine (CID 168530777) is (3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine.
What is the SMILES notation for (3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine?
The canonical SMILES for (3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine is CCOc1cc(C=NN)cc(I)c1OC.
What is the InChIKey of (3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine?
The InChIKey is CYZZFCAFLKHYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O2/c1-3-15-9-5-7(6-13-12)4-8(11)10(9)14-2/h4-6H,3,12H2,1-2H3.
What are the key properties of (3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine?
(3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine has a molecular weight of 320.13 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-5-iodo-4-methoxyphenyl)methylidenehydrazine is sourced from PubChem (CID 168530777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).