3-(4-chloro-2-fluorophenyl)-6-propan-2-ylpyridazine

C13H12ClFN2 — CID 67473583

IUPAC3-(4-chloro-2-fluorophenyl)-6-propan-2-ylpyridazine
SMILESCC(C)c1ccc(-c2ccc(Cl)cc2F)nn1
InChIInChI=1S/C13H12ClFN2/c1-8(2)12-5-6-13(17-16-12)10-4-3-9(14)7-11(10)15/h3-8H,1-2H3
InChIKeyVJGJGKNCKQMNQT-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.06
Rot. Bonds2

About 3-(4-chloro-2-fluorophenyl)-6-propan-2-ylpyridazine

3-(4-chloro-2-fluorophenyl)-6-propan-2-ylpyridazine (PubChem CID 67473583) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-6-propan-2-ylpyridazine.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-6-propan-2-ylpyridazine
PubChem CID67473583
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name3-(4-chloro-2-fluorophenyl)-6-propan-2-ylpyridazine
SMILESCC(C)c1ccc(-c2ccc(Cl)cc2F)nn1
InChIInChI=1S/C13H12ClFN2/c1-8(2)12-5-6-13(17-16-12)10-4-3-9(14)7-11(10)15/h3-8H,1-2H3
InChIKeyVJGJGKNCKQMNQT-UHFFFAOYSA-N
XLogP4.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-6-propan-2-ylpyridazine?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-6-propan-2-ylpyridazine (CID 67473583) is 3-(4-chloro-2-fluorophenyl)-6-propan-2-ylpyridazine.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-6-propan-2-ylpyridazine?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-6-propan-2-ylpyridazine is CC(C)c1ccc(-c2ccc(Cl)cc2F)nn1.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-6-propan-2-ylpyridazine?
The InChIKey is VJGJGKNCKQMNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-8(2)12-5-6-13(17-16-12)10-4-3-9(14)7-11(10)15/h3-8H,1-2H3.
What are the key properties of 3-(4-chloro-2-fluorophenyl)-6-propan-2-ylpyridazine?
3-(4-chloro-2-fluorophenyl)-6-propan-2-ylpyridazine has a molecular weight of 250.70 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-6-propan-2-ylpyridazine is sourced from PubChem (CID 67473583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).