1-[4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3,5-difluorophenyl]ethanol

C19H14Cl2F2N2O — CID 88917738

IUPAC1-[4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3,5-difluorophenyl]ethanol
SMILESCc1nnc(Cl)c(-c2c(F)cc(C(C)O)cc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2F2N2O/c1-9-16(11-3-5-13(20)6-4-11)18(19(21)25-24-9)17-14(22)7-12(10(2)26)8-15(17)23/h3-8,10,26H,1-2H3
InChIKeyVNIWVWABFSYHMM-UHFFFAOYSA-N
MW395.24 g/mol
LogP5.76
Rot. Bonds3

About 1-[4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3,5-difluorophenyl]ethanol

1-[4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3,5-difluorophenyl]ethanol (PubChem CID 88917738) has the molecular formula C19H14Cl2F2N2O and a molecular weight of 395.24 g/mol. Its IUPAC name is 1-[4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3,5-difluorophenyl]ethanol.

Molecular Properties

Compound Name1-[4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3,5-difluorophenyl]ethanol
PubChem CID88917738
Molecular FormulaC19H14Cl2F2N2O
Molecular Weight395.24 g/mol
Exact Mass394.05
IUPAC Name1-[4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3,5-difluorophenyl]ethanol
SMILESCc1nnc(Cl)c(-c2c(F)cc(C(C)O)cc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H14Cl2F2N2O/c1-9-16(11-3-5-13(20)6-4-11)18(19(21)25-24-9)17-14(22)7-12(10(2)26)8-15(17)23/h3-8,10,26H,1-2H3
InChIKeyVNIWVWABFSYHMM-UHFFFAOYSA-N
XLogP5.76
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.24
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3,5-difluorophenyl]ethanol?
The IUPAC name of 1-[4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3,5-difluorophenyl]ethanol (CID 88917738) is 1-[4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3,5-difluorophenyl]ethanol.
What is the SMILES notation for 1-[4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3,5-difluorophenyl]ethanol?
The canonical SMILES for 1-[4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3,5-difluorophenyl]ethanol is Cc1nnc(Cl)c(-c2c(F)cc(C(C)O)cc2F)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3,5-difluorophenyl]ethanol?
The InChIKey is VNIWVWABFSYHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F2N2O/c1-9-16(11-3-5-13(20)6-4-11)18(19(21)25-24-9)17-14(22)7-12(10(2)26)8-15(17)23/h3-8,10,26H,1-2H3.
What are the key properties of 1-[4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3,5-difluorophenyl]ethanol?
1-[4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3,5-difluorophenyl]ethanol has a molecular weight of 395.24 g/mol, XLogP of 5.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-chloro-5-(4-chlorophenyl)-6-methylpyridazin-4-yl]-3,5-difluorophenyl]ethanol is sourced from PubChem (CID 88917738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).