(NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride

C14H12ClN3O — CID 177475963

IUPAC(NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride
SMILESCOc1ccc(/C(Cl)=N/N=C/c2cccnc2)cc1
InChIInChI=1S/C14H12ClN3O/c1-19-13-6-4-12(5-7-13)14(15)18-17-10-11-3-2-8-16-9-11/h2-10H,1H3/b17-10+,18-14-
InChIKeyLHLYRQDTSANOEO-CEKGWZEMSA-N
MW273.72 g/mol
LogP3.11
Rot. Bonds4

About (NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride

(NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride (PubChem CID 177475963) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is (NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride
PubChem CID177475963
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name(NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride
SMILESCOc1ccc(/C(Cl)=N/N=C/c2cccnc2)cc1
InChIInChI=1S/C14H12ClN3O/c1-19-13-6-4-12(5-7-13)14(15)18-17-10-11-3-2-8-16-9-11/h2-10H,1H3/b17-10+,18-14-
InChIKeyLHLYRQDTSANOEO-CEKGWZEMSA-N
XLogP3.11
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine
CID 122218067
(E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal
CID 134965441
2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride
CID 54609066
methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate
CID 6850946
2-(4-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5428272
N-[(E)-[2-(4-methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide
CID 10620372
1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine
CID 6913986
(NE,3Z)-N-[(5-methoxy-2-oxidophenyl)methylidene]pyridine-3-carbohydrazonate;vanadium(4+);dihydroxide
CID 74763337
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide
CID 6062098
4-methoxybenzenecarbohydrazonoyl chloride
CID 175972559
3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide
CID 6881848
3-bromo-4-methoxy-N-(pyridin-3-ylmethylideneamino)benzamide
CID 681048

Frequently Asked Questions

What is the IUPAC name of (NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride?
The IUPAC name of (NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride (CID 177475963) is (NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride.
What is the SMILES notation for (NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride?
The canonical SMILES for (NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride is COc1ccc(/C(Cl)=N/N=C/c2cccnc2)cc1.
What is the InChIKey of (NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride?
The InChIKey is LHLYRQDTSANOEO-CEKGWZEMSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-19-13-6-4-12(5-7-13)14(15)18-17-10-11-3-2-8-16-9-11/h2-10H,1H3/b17-10+,18-14-.
What are the key properties of (NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride?
(NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride has a molecular weight of 273.72 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride is sourced from PubChem (CID 177475963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).