3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,5-difluoro-4-methoxyphenyl)-6-methylpyridazine

C17H11Cl2F2N3O — CID 70693753

IUPAC3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,5-difluoro-4-methoxyphenyl)-6-methylpyridazine
SMILESCOc1cc(F)c(-c2c(Cl)nnc(C)c2-c2ccc(Cl)nc2)cc1F
InChIInChI=1S/C17H11Cl2F2N3O/c1-8-15(9-3-4-14(18)22-7-9)16(17(19)24-23-8)10-5-12(21)13(25-2)6-11(10)20/h3-7H,1-2H3
InChIKeyFQBHKHNSEMEDIE-UHFFFAOYSA-N
MW382.20 g/mol
LogP5.11
Rot. Bonds3

About 3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,5-difluoro-4-methoxyphenyl)-6-methylpyridazine

3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,5-difluoro-4-methoxyphenyl)-6-methylpyridazine (PubChem CID 70693753) has the molecular formula C17H11Cl2F2N3O and a molecular weight of 382.20 g/mol. Its IUPAC name is 3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,5-difluoro-4-methoxyphenyl)-6-methylpyridazine.

Molecular Properties

Compound Name3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,5-difluoro-4-methoxyphenyl)-6-methylpyridazine
PubChem CID70693753
Molecular FormulaC17H11Cl2F2N3O
Molecular Weight382.20 g/mol
Exact Mass381.02
IUPAC Name3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,5-difluoro-4-methoxyphenyl)-6-methylpyridazine
SMILESCOc1cc(F)c(-c2c(Cl)nnc(C)c2-c2ccc(Cl)nc2)cc1F
InChIInChI=1S/C17H11Cl2F2N3O/c1-8-15(9-3-4-14(18)22-7-9)16(17(19)24-23-8)10-5-12(21)13(25-2)6-11(10)20/h3-7H,1-2H3
InChIKeyFQBHKHNSEMEDIE-UHFFFAOYSA-N
XLogP5.11
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.20
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,5-difluoro-4-methoxyphenyl)-6-methylpyridazine?
The IUPAC name of 3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,5-difluoro-4-methoxyphenyl)-6-methylpyridazine (CID 70693753) is 3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,5-difluoro-4-methoxyphenyl)-6-methylpyridazine.
What is the SMILES notation for 3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,5-difluoro-4-methoxyphenyl)-6-methylpyridazine?
The canonical SMILES for 3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,5-difluoro-4-methoxyphenyl)-6-methylpyridazine is COc1cc(F)c(-c2c(Cl)nnc(C)c2-c2ccc(Cl)nc2)cc1F.
What is the InChIKey of 3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,5-difluoro-4-methoxyphenyl)-6-methylpyridazine?
The InChIKey is FQBHKHNSEMEDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F2N3O/c1-8-15(9-3-4-14(18)22-7-9)16(17(19)24-23-8)10-5-12(21)13(25-2)6-11(10)20/h3-7H,1-2H3.
What are the key properties of 3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,5-difluoro-4-methoxyphenyl)-6-methylpyridazine?
3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,5-difluoro-4-methoxyphenyl)-6-methylpyridazine has a molecular weight of 382.20 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,5-difluoro-4-methoxyphenyl)-6-methylpyridazine is sourced from PubChem (CID 70693753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).