3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine

C15H12ClFN4 — CID 22240125

IUPAC3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine
SMILESCc1nccn1Cc1cnnc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H12ClFN4/c1-10-18-4-5-21(10)9-11-6-15(20-19-8-11)12-2-3-14(17)13(16)7-12/h2-8H,9H2,1H3
InChIKeyBIDCPWOQSNICEC-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.49
Rot. Bonds3

About 3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine

3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine (PubChem CID 22240125) has the molecular formula C15H12ClFN4 and a molecular weight of 302.74 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine
PubChem CID22240125
Molecular FormulaC15H12ClFN4
Molecular Weight302.74 g/mol
Exact Mass302.07
IUPAC Name3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine
SMILESCc1nccn1Cc1cnnc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H12ClFN4/c1-10-18-4-5-21(10)9-11-6-15(20-19-8-11)12-2-3-14(17)13(16)7-12/h2-8H,9H2,1H3
InChIKeyBIDCPWOQSNICEC-UHFFFAOYSA-N
XLogP3.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine (CID 22240125) is 3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine is Cc1nccn1Cc1cnnc(-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine?
The InChIKey is BIDCPWOQSNICEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4/c1-10-18-4-5-21(10)9-11-6-15(20-19-8-11)12-2-3-14(17)13(16)7-12/h2-8H,9H2,1H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine?
3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine has a molecular weight of 302.74 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-5-[(2-methylimidazol-1-yl)methyl]pyridazine is sourced from PubChem (CID 22240125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).