3-[2,3-difluoro-4-(4-methylphenyl)phenyl]-6-methylpyridazine

C18H14F2N2 — CID 20663234

IUPAC3-[2,3-difluoro-4-(4-methylphenyl)phenyl]-6-methylpyridazine
SMILESCc1ccc(-c2ccc(-c3ccc(C)nn3)c(F)c2F)cc1
InChIInChI=1S/C18H14F2N2/c1-11-3-6-13(7-4-11)14-8-9-15(18(20)17(14)19)16-10-5-12(2)21-22-16/h3-10H,1-2H3
InChIKeyFGPNBWSSBXWSIE-UHFFFAOYSA-N
MW296.32 g/mol
LogP4.71
Rot. Bonds2

About 3-[2,3-difluoro-4-(4-methylphenyl)phenyl]-6-methylpyridazine

3-[2,3-difluoro-4-(4-methylphenyl)phenyl]-6-methylpyridazine (PubChem CID 20663234) has the molecular formula C18H14F2N2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-[2,3-difluoro-4-(4-methylphenyl)phenyl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[2,3-difluoro-4-(4-methylphenyl)phenyl]-6-methylpyridazine
PubChem CID20663234
Molecular FormulaC18H14F2N2
Molecular Weight296.32 g/mol
Exact Mass296.11
IUPAC Name3-[2,3-difluoro-4-(4-methylphenyl)phenyl]-6-methylpyridazine
SMILESCc1ccc(-c2ccc(-c3ccc(C)nn3)c(F)c2F)cc1
InChIInChI=1S/C18H14F2N2/c1-11-3-6-13(7-4-11)14-8-9-15(18(20)17(14)19)16-10-5-12(2)21-22-16/h3-10H,1-2H3
InChIKeyFGPNBWSSBXWSIE-UHFFFAOYSA-N
XLogP4.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-difluoro-4-methylphenyl)-6-methylpyridazine
CID 20663232
2-[2,3-difluoro-4-(6-methyl-3-pyridinyl)phenyl]-5-methylpyridine
CID 20663203
2-(2,3-difluoro-4-methylphenyl)-5-(6-methyl-3-pyridinyl)pyridine
CID 22899584
6-(2,3-difluoro-4-methylphenyl)pyridazin-3-amine
CID 107514047
3-methyl-6-(4-methylphenyl)pyridazine;3-methyl-6-(5-methyl-2-pyridinyl)pyridazine
CID 144588517
3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine
CID 139778526
3-[4-[2-(4-ethylcyclohexyl)ethyl]-2,3-difluorophenyl]-6-methylpyridazine
CID 139779038
1-ethyl-2,3-difluoro-4-(4-methylphenyl)benzene
CID 20727464
1-(4-bromophenyl)-2,3-difluoro-4-methylbenzene
CID 58140910
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-(4-pentylphenyl)benzene
CID 20679712
3-methyl-6-[4-(5-methylpyrimidin-2-yl)phenyl]pyridazine
CID 118345276
2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene
CID 58756075

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-difluoro-4-(4-methylphenyl)phenyl]-6-methylpyridazine?
The IUPAC name of 3-[2,3-difluoro-4-(4-methylphenyl)phenyl]-6-methylpyridazine (CID 20663234) is 3-[2,3-difluoro-4-(4-methylphenyl)phenyl]-6-methylpyridazine.
What is the SMILES notation for 3-[2,3-difluoro-4-(4-methylphenyl)phenyl]-6-methylpyridazine?
The canonical SMILES for 3-[2,3-difluoro-4-(4-methylphenyl)phenyl]-6-methylpyridazine is Cc1ccc(-c2ccc(-c3ccc(C)nn3)c(F)c2F)cc1.
What is the InChIKey of 3-[2,3-difluoro-4-(4-methylphenyl)phenyl]-6-methylpyridazine?
The InChIKey is FGPNBWSSBXWSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2/c1-11-3-6-13(7-4-11)14-8-9-15(18(20)17(14)19)16-10-5-12(2)21-22-16/h3-10H,1-2H3.
What are the key properties of 3-[2,3-difluoro-4-(4-methylphenyl)phenyl]-6-methylpyridazine?
3-[2,3-difluoro-4-(4-methylphenyl)phenyl]-6-methylpyridazine has a molecular weight of 296.32 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-difluoro-4-(4-methylphenyl)phenyl]-6-methylpyridazine is sourced from PubChem (CID 20663234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).