(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine

C10H8Cl2N2O — CID 168529155

IUPAC(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine
SMILESC#CCOc1c(Cl)cc(C=NN)cc1Cl
InChIInChI=1S/C10H8Cl2N2O/c1-2-3-15-10-8(11)4-7(6-14-13)5-9(10)12/h1,4-6H,3,13H2
InChIKeyBXITWDJINXXCJE-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.30
Rot. Bonds3

About (3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine

(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine (PubChem CID 168529155) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is (3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine.

Molecular Properties

Compound Name(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine
PubChem CID168529155
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine
SMILESC#CCOc1c(Cl)cc(C=NN)cc1Cl
InChIInChI=1S/C10H8Cl2N2O/c1-2-3-15-10-8(11)4-7(6-14-13)5-9(10)12/h1,4-6H,3,13H2
InChIKeyBXITWDJINXXCJE-UHFFFAOYSA-N
XLogP2.30
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 6894421
(NZ)-N-[(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 124581265
(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidenehydrazine
CID 23861029
N'-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-N-propyloxamide
CID 8989397
N-[(E)-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19059999
(Z)-3-(3,5-dichloro-4-prop-2-ynoxyphenyl)-2-phenylprop-2-enenitrile
CID 126051284
(E)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene-(diaminomethylideneamino)azanium
CID 9017530
N-[(Z)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29148265
1-chloro-3-methoxy-5-[(E)-2-nitroethenyl]-2-prop-2-ynoxybenzene
CID 2181097
N-[(E)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]benzo[e][1]benzofuran-2-carboxamide
CID 6876463
N-[(Z)-(3,5-dichloro-4-prop-2-ynoxyphenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126071392
(3Z)-3-[(Z)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-1-methylindol-2-one
CID 9213834

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine?
The IUPAC name of (3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine (CID 168529155) is (3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine.
What is the SMILES notation for (3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine?
The canonical SMILES for (3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine is C#CCOc1c(Cl)cc(C=NN)cc1Cl.
What is the InChIKey of (3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine?
The InChIKey is BXITWDJINXXCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c1-2-3-15-10-8(11)4-7(6-14-13)5-9(10)12/h1,4-6H,3,13H2.
What are the key properties of (3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine?
(3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine has a molecular weight of 243.09 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-prop-2-ynoxyphenyl)methylidenehydrazine is sourced from PubChem (CID 168529155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).