6-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]pyridazin-3-amine

C17H9Cl3F3N5 — CID 6415793

IUPAC6-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]pyridazin-3-amine
SMILESFC(F)(F)c1cnc(/C(=N\Nc2ccc(Cl)nn2)c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C17H9Cl3F3N5/c18-11-3-1-9(2-4-11)15(28-27-14-6-5-13(20)25-26-14)16-12(19)7-10(8-24-16)17(21,22)23/h1-8H,(H,26,27)/b28-15-
InChIKeyFPCPWWYEHXWIIH-MBTHVWNTSA-N
MW446.65 g/mol
LogP5.72
Rot. Bonds4

About 6-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]pyridazin-3-amine

6-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]pyridazin-3-amine (PubChem CID 6415793) has the molecular formula C17H9Cl3F3N5 and a molecular weight of 446.65 g/mol. Its IUPAC name is 6-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]pyridazin-3-amine
PubChem CID6415793
Molecular FormulaC17H9Cl3F3N5
Molecular Weight446.65 g/mol
Exact Mass444.99
IUPAC Name6-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]pyridazin-3-amine
SMILESFC(F)(F)c1cnc(/C(=N\Nc2ccc(Cl)nn2)c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C17H9Cl3F3N5/c18-11-3-1-9(2-4-11)15(28-27-14-6-5-13(20)25-26-14)16-12(19)7-10(8-24-16)17(21,22)23/h1-8H,(H,26,27)/b28-15-
InChIKeyFPCPWWYEHXWIIH-MBTHVWNTSA-N
XLogP5.72
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.65
LogP ≤ 55.72
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'}

Analyze 6-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]pyridazin-3-amine with MolForge

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Related Compounds

2,4-dichloro-N-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethylidene]amino]aniline
CID 2768805
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(2,4-dichlorophenyl)methylidene]hydroxylamine
CID 3743948
[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-phenylmethylidene]amino] N-(2,4-dichlorophenyl)carbamate
CID 3839688
[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-nitrophenyl)methylidene]hydrazine
CID 1483166
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]thiourea
CID 2745993
3-chloro-N-(6-chloropyridazin-3-yl)-4-fluorobenzamide
CID 115737291
3-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 9217023
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoacetic acid
CID 139035182
N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 91649769
3-chloro-N'-(2,6-difluorophenyl)sulfonyl-5-(trifluoromethyl)pyridine-2-carboximidamide
CID 125116865
2-[(Z)-[(4-chlorophenyl)-[4-(trifluoromethyl)phenyl]methylidene]amino]guanidine
CID 5360955

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]pyridazin-3-amine (CID 6415793) is 6-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]pyridazin-3-amine is FC(F)(F)c1cnc(/C(=N\Nc2ccc(Cl)nn2)c2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 6-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]pyridazin-3-amine?
The InChIKey is FPCPWWYEHXWIIH-MBTHVWNTSA-N. The full InChI is InChI=1S/C17H9Cl3F3N5/c18-11-3-1-9(2-4-11)15(28-27-14-6-5-13(20)25-26-14)16-12(19)7-10(8-24-16)17(21,22)23/h1-8H,(H,26,27)/b28-15-.
What are the key properties of 6-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]pyridazin-3-amine?
6-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]pyridazin-3-amine has a molecular weight of 446.65 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(Z)-[(4-chlorophenyl)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylidene]amino]pyridazin-3-amine is sourced from PubChem (CID 6415793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).