3-chloro-5-(4-chlorophenyl)-4-(2,6-difluorohexyl)-6-methylpyridazine

C17H18Cl2F2N2 — CID 152511528

IUPAC3-chloro-5-(4-chlorophenyl)-4-(2,6-difluorohexyl)-6-methylpyridazine
SMILESCc1nnc(Cl)c(CC(F)CCCCF)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2F2N2/c1-11-16(12-5-7-13(18)8-6-12)15(17(19)23-22-11)10-14(21)4-2-3-9-20/h5-8,14H,2-4,9-10H2,1H3
InChIKeyYFPNRPQUFMCJMZ-UHFFFAOYSA-N
MW359.25 g/mol
LogP5.78
Rot. Bonds7

About 3-chloro-5-(4-chlorophenyl)-4-(2,6-difluorohexyl)-6-methylpyridazine

3-chloro-5-(4-chlorophenyl)-4-(2,6-difluorohexyl)-6-methylpyridazine (PubChem CID 152511528) has the molecular formula C17H18Cl2F2N2 and a molecular weight of 359.25 g/mol. Its IUPAC name is 3-chloro-5-(4-chlorophenyl)-4-(2,6-difluorohexyl)-6-methylpyridazine.

Molecular Properties

Compound Name3-chloro-5-(4-chlorophenyl)-4-(2,6-difluorohexyl)-6-methylpyridazine
PubChem CID152511528
Molecular FormulaC17H18Cl2F2N2
Molecular Weight359.25 g/mol
Exact Mass358.08
IUPAC Name3-chloro-5-(4-chlorophenyl)-4-(2,6-difluorohexyl)-6-methylpyridazine
SMILESCc1nnc(Cl)c(CC(F)CCCCF)c1-c1ccc(Cl)cc1
InChIInChI=1S/C17H18Cl2F2N2/c1-11-16(12-5-7-13(18)8-6-12)15(17(19)23-22-11)10-14(21)4-2-3-9-20/h5-8,14H,2-4,9-10H2,1H3
InChIKeyYFPNRPQUFMCJMZ-UHFFFAOYSA-N
XLogP5.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.25
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-[4-(4-chlorophenyl)sulfanylphenyl]-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
CID 87511139
4-(4-chlorophenyl)-1,3,5-trimethylpyrazole
CID 142305322
5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine
CID 13046106
3-chloro-5-(4-cyclopropylphenyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
CID 87511389
4,6-dichloro-5-(4-chlorophenyl)-2-(3-methylbutyl)pyrimidine
CID 79437867
3-chloro-5-[4-(cyclopropylmethyl)phenyl]-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
CID 87511570
3-chloro-4-(2,6-difluoro-4-methoxyphenyl)-5-(4-ethynylphenyl)-6-methylpyridazine
CID 87371063
3-chloro-5-(4-chlorophenyl)-4-(2,6-difluorophenyl)-6-methylpyridazine;5-(4-chlorophenyl)-2,3-dimethyl-3-pyridin-3-yl-1,2-oxazole
CID 174653818
3-(4-chlorophenyl)-6-methyl-4H-1,2,4-triazin-5-one
CID 135472873
4-[5-(4-chlorophenyl)-1,3-dimethylpyrazol-4-yl]pyridine
CID 22037545
1-[2-(4-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 62745644
3,6-bis(4-chlorophenyl)pyridazine
CID 11197367

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-chlorophenyl)-4-(2,6-difluorohexyl)-6-methylpyridazine?
The IUPAC name of 3-chloro-5-(4-chlorophenyl)-4-(2,6-difluorohexyl)-6-methylpyridazine (CID 152511528) is 3-chloro-5-(4-chlorophenyl)-4-(2,6-difluorohexyl)-6-methylpyridazine.
What is the SMILES notation for 3-chloro-5-(4-chlorophenyl)-4-(2,6-difluorohexyl)-6-methylpyridazine?
The canonical SMILES for 3-chloro-5-(4-chlorophenyl)-4-(2,6-difluorohexyl)-6-methylpyridazine is Cc1nnc(Cl)c(CC(F)CCCCF)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-5-(4-chlorophenyl)-4-(2,6-difluorohexyl)-6-methylpyridazine?
The InChIKey is YFPNRPQUFMCJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2F2N2/c1-11-16(12-5-7-13(18)8-6-12)15(17(19)23-22-11)10-14(21)4-2-3-9-20/h5-8,14H,2-4,9-10H2,1H3.
What are the key properties of 3-chloro-5-(4-chlorophenyl)-4-(2,6-difluorohexyl)-6-methylpyridazine?
3-chloro-5-(4-chlorophenyl)-4-(2,6-difluorohexyl)-6-methylpyridazine has a molecular weight of 359.25 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-chlorophenyl)-4-(2,6-difluorohexyl)-6-methylpyridazine is sourced from PubChem (CID 152511528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).