3-chloro-6-[[2-(2-fluorophenyl)-4H-imidazol-4-yl]methyl]pyridazine

C14H10ClFN4 — CID 174570408

IUPAC3-chloro-6-[[2-(2-fluorophenyl)-4H-imidazol-4-yl]methyl]pyridazine
SMILESFc1ccccc1C1=NC(Cc2ccc(Cl)nn2)C=N1
InChIInChI=1S/C14H10ClFN4/c15-13-6-5-9(19-20-13)7-10-8-17-14(18-10)11-3-1-2-4-12(11)16/h1-6,8,10H,7H2
InChIKeyCNHJVYMUOKEZCU-UHFFFAOYSA-N
MW288.71 g/mol
LogP2.71
Rot. Bonds3

About 3-chloro-6-[[2-(2-fluorophenyl)-4H-imidazol-4-yl]methyl]pyridazine

3-chloro-6-[[2-(2-fluorophenyl)-4H-imidazol-4-yl]methyl]pyridazine (PubChem CID 174570408) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is 3-chloro-6-[[2-(2-fluorophenyl)-4H-imidazol-4-yl]methyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[[2-(2-fluorophenyl)-4H-imidazol-4-yl]methyl]pyridazine
PubChem CID174570408
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC Name3-chloro-6-[[2-(2-fluorophenyl)-4H-imidazol-4-yl]methyl]pyridazine
SMILESFc1ccccc1C1=NC(Cc2ccc(Cl)nn2)C=N1
InChIInChI=1S/C14H10ClFN4/c15-13-6-5-9(19-20-13)7-10-8-17-14(18-10)11-3-1-2-4-12(11)16/h1-6,8,10H,7H2
InChIKeyCNHJVYMUOKEZCU-UHFFFAOYSA-N
XLogP2.71
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[[2-(2-fluorophenyl)-4H-imidazol-4-yl]methyl]pyridazine?
The IUPAC name of 3-chloro-6-[[2-(2-fluorophenyl)-4H-imidazol-4-yl]methyl]pyridazine (CID 174570408) is 3-chloro-6-[[2-(2-fluorophenyl)-4H-imidazol-4-yl]methyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[[2-(2-fluorophenyl)-4H-imidazol-4-yl]methyl]pyridazine?
The canonical SMILES for 3-chloro-6-[[2-(2-fluorophenyl)-4H-imidazol-4-yl]methyl]pyridazine is Fc1ccccc1C1=NC(Cc2ccc(Cl)nn2)C=N1.
What is the InChIKey of 3-chloro-6-[[2-(2-fluorophenyl)-4H-imidazol-4-yl]methyl]pyridazine?
The InChIKey is CNHJVYMUOKEZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c15-13-6-5-9(19-20-13)7-10-8-17-14(18-10)11-3-1-2-4-12(11)16/h1-6,8,10H,7H2.
What are the key properties of 3-chloro-6-[[2-(2-fluorophenyl)-4H-imidazol-4-yl]methyl]pyridazine?
3-chloro-6-[[2-(2-fluorophenyl)-4H-imidazol-4-yl]methyl]pyridazine has a molecular weight of 288.71 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[[2-(2-fluorophenyl)-4H-imidazol-4-yl]methyl]pyridazine is sourced from PubChem (CID 174570408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).