methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate

C14H11Cl2N3O2 — CID 8980058

IUPACmethyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N\Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O2/c1-21-14(20)11-5-3-2-4-9(11)7-18-19-13-12(16)6-10(15)8-17-13/h2-8H,1H3,(H,17,19)/b18-7-
InChIKeyFZAFXNPWUAEPHH-WSVATBPTSA-N
MW324.17 g/mol
LogP3.62
Rot. Bonds4

About methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate

methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate (PubChem CID 8980058) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate
PubChem CID8980058
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Namemethyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N\Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2N3O2/c1-21-14(20)11-5-3-2-4-9(11)7-18-19-13-12(16)6-10(15)8-17-13/h2-8H,1H3,(H,17,19)/b18-7-
InChIKeyFZAFXNPWUAEPHH-WSVATBPTSA-N
XLogP3.62
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(Z)-[(6-chloro-4-methylquinolin-2-yl)hydrazinylidene]methyl]benzoate
CID 8982355
4-[(E)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135828372
methyl 2-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9231447
methyl 2-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]benzoate
CID 8974838
4-[(2Z)-2-[(2-methoxycarbonylphenyl)methylidene]hydrazinyl]benzoic acid
CID 8971364
3,5-dichloro-N-[(E)-furan-2-ylmethylideneamino]pyridin-2-amine
CID 7256549
methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9218105
methyl 2-[(Z)-[[4-(4-methylphenyl)sulfonylphenyl]hydrazinylidene]methyl]benzoate
CID 8979814
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2373981
3,5-dichloro-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyridin-2-amine
CID 6892976
methyl 2-[(E)-(phenoxycarbonylhydrazinylidene)methyl]benzoate
CID 134847140
3-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 9216990

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate (CID 8980058) is methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate is COC(=O)c1ccccc1/C=N\Nc1ncc(Cl)cc1Cl.
What is the InChIKey of methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate?
The InChIKey is FZAFXNPWUAEPHH-WSVATBPTSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c1-21-14(20)11-5-3-2-4-9(11)7-18-19-13-12(16)6-10(15)8-17-13/h2-8H,1H3,(H,17,19)/b18-7-.
What are the key properties of methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate?
methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate has a molecular weight of 324.17 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(Z)-[(3,5-dichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 8980058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).