3-(4-chlorophenyl)-4-(2,6-difluorophenyl)-6-methylpyridazine

C17H11ClF2N2 — CID 141279901

IUPAC3-(4-chlorophenyl)-4-(2,6-difluorophenyl)-6-methylpyridazine
SMILESCc1cc(-c2c(F)cccc2F)c(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H11ClF2N2/c1-10-9-13(16-14(19)3-2-4-15(16)20)17(22-21-10)11-5-7-12(18)8-6-11/h2-9H,1H3
InChIKeyURVGJFISXDNNPE-UHFFFAOYSA-N
MW316.74 g/mol
LogP5.05
Rot. Bonds2

About 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)-6-methylpyridazine

3-(4-chlorophenyl)-4-(2,6-difluorophenyl)-6-methylpyridazine (PubChem CID 141279901) has the molecular formula C17H11ClF2N2 and a molecular weight of 316.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)-6-methylpyridazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(2,6-difluorophenyl)-6-methylpyridazine
PubChem CID141279901
Molecular FormulaC17H11ClF2N2
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name3-(4-chlorophenyl)-4-(2,6-difluorophenyl)-6-methylpyridazine
SMILESCc1cc(-c2c(F)cccc2F)c(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H11ClF2N2/c1-10-9-13(16-14(19)3-2-4-15(16)20)17(22-21-10)11-5-7-12(18)8-6-11/h2-9H,1H3
InChIKeyURVGJFISXDNNPE-UHFFFAOYSA-N
XLogP5.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.74
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-chloro-3-pyridinyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
CID 154394391
4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine
CID 104673131
2-(4-chlorophenyl)-3-fluoropyridine
CID 66678603
6-(4-chlorophenyl)-3-(2-fluorophenyl)-1,2,4-triazin-5-amine
CID 6405105
5,6-bis(2,6-difluorophenyl)-2-methylpyridazin-3-one
CID 165389180
2-fluoro-6-(4-fluoro-3-methylphenyl)benzonitrile
CID 114898472
3-chloro-5-(2,6-difluorophenyl)phenol
CID 53221278
6-(4-chloro-3,5-dimethoxyphenyl)-5-(2,6-difluorophenyl)-2-methylpyridazin-3-one
CID 165389179
4-chloro-2-(2-fluoro-6-methylphenyl)phenol
CID 146321741
1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene
CID 134625893
6-chloro-3-(2-fluorophenyl)-4-methylpyridazine
CID 112679303
3-(4-fluorophenyl)-4-methoxy-6-methylpyridazine
CID 165373089

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)-6-methylpyridazine?
The IUPAC name of 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)-6-methylpyridazine (CID 141279901) is 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)-6-methylpyridazine.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)-6-methylpyridazine?
The canonical SMILES for 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)-6-methylpyridazine is Cc1cc(-c2c(F)cccc2F)c(-c2ccc(Cl)cc2)nn1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)-6-methylpyridazine?
The InChIKey is URVGJFISXDNNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2/c1-10-9-13(16-14(19)3-2-4-15(16)20)17(22-21-10)11-5-7-12(18)8-6-11/h2-9H,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)-6-methylpyridazine?
3-(4-chlorophenyl)-4-(2,6-difluorophenyl)-6-methylpyridazine has a molecular weight of 316.74 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(2,6-difluorophenyl)-6-methylpyridazine is sourced from PubChem (CID 141279901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).