5-chloro-4-[(2E)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one

C19H16ClFN4O3 — CID 110338069

IUPAC5-chloro-4-[(2E)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCOc1cc(/C=N/Nc2cn[nH]c(=O)c2Cl)ccc1OCc1ccccc1F
InChIInChI=1S/C19H16ClFN4O3/c1-27-17-8-12(9-22-24-15-10-23-25-19(26)18(15)20)6-7-16(17)28-11-13-4-2-3-5-14(13)21/h2-10H,11H2,1H3,(H2,24,25,26)/b22-9+
InChIKeyCBUGPWPHTCZGGP-LSFURLLWSA-N
MW402.81 g/mol
LogP3.60
Rot. Bonds7

About 5-chloro-4-[(2E)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[(2E)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 110338069) has the molecular formula C19H16ClFN4O3 and a molecular weight of 402.81 g/mol. Its IUPAC name is 5-chloro-4-[(2E)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2E)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID110338069
Molecular FormulaC19H16ClFN4O3
Molecular Weight402.81 g/mol
Exact Mass402.09
IUPAC Name5-chloro-4-[(2E)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCOc1cc(/C=N/Nc2cn[nH]c(=O)c2Cl)ccc1OCc1ccccc1F
InChIInChI=1S/C19H16ClFN4O3/c1-27-17-8-12(9-22-24-15-10-23-25-19(26)18(15)20)6-7-16(17)28-11-13-4-2-3-5-14(13)21/h2-10H,11H2,1H3,(H2,24,25,26)/b22-9+
InChIKeyCBUGPWPHTCZGGP-LSFURLLWSA-N
XLogP3.60
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.81
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2E)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2E)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 110338069) is 5-chloro-4-[(2E)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2E)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2E)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one is COc1cc(/C=N/Nc2cn[nH]c(=O)c2Cl)ccc1OCc1ccccc1F.
What is the InChIKey of 5-chloro-4-[(2E)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is CBUGPWPHTCZGGP-LSFURLLWSA-N. The full InChI is InChI=1S/C19H16ClFN4O3/c1-27-17-8-12(9-22-24-15-10-23-25-19(26)18(15)20)6-7-16(17)28-11-13-4-2-3-5-14(13)21/h2-10H,11H2,1H3,(H2,24,25,26)/b22-9+.
What are the key properties of 5-chloro-4-[(2E)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2E)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 402.81 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2E)-2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110338069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).