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

C16H9Cl2F2N3 — CID 70689543

IUPAC3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,6-difluorophenyl)-6-methylpyridazine
SMILESCc1nnc(Cl)c(-c2c(F)cccc2F)c1-c1ccc(Cl)nc1
InChIInChI=1S/C16H9Cl2F2N3/c1-8-13(9-5-6-12(17)21-7-9)15(16(18)23-22-8)14-10(19)3-2-4-11(14)20/h2-7H,1H3
InChIKeyDUSSDRZXEPMRGC-UHFFFAOYSA-N
MW352.17 g/mol
LogP5.10
Rot. Bonds2

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

3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,6-difluorophenyl)-6-methylpyridazine (PubChem CID 70689543) has the molecular formula C16H9Cl2F2N3 and a molecular weight of 352.17 g/mol. Its IUPAC name is 3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,6-difluorophenyl)-6-methylpyridazine.

Molecular Properties

Compound Name3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,6-difluorophenyl)-6-methylpyridazine
PubChem CID70689543
Molecular FormulaC16H9Cl2F2N3
Molecular Weight352.17 g/mol
Exact Mass351.01
IUPAC Name3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,6-difluorophenyl)-6-methylpyridazine
SMILESCc1nnc(Cl)c(-c2c(F)cccc2F)c1-c1ccc(Cl)nc1
InChIInChI=1S/C16H9Cl2F2N3/c1-8-13(9-5-6-12(17)21-7-9)15(16(18)23-22-8)14-10(19)3-2-4-11(14)20/h2-7H,1H3
InChIKeyDUSSDRZXEPMRGC-UHFFFAOYSA-N
XLogP5.10
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.17
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,6-difluorophenyl)-6-methylpyridazine?
The IUPAC name of 3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,6-difluorophenyl)-6-methylpyridazine (CID 70689543) is 3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,6-difluorophenyl)-6-methylpyridazine.
What is the SMILES notation for 3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,6-difluorophenyl)-6-methylpyridazine?
The canonical SMILES for 3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,6-difluorophenyl)-6-methylpyridazine is Cc1nnc(Cl)c(-c2c(F)cccc2F)c1-c1ccc(Cl)nc1.
What is the InChIKey of 3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,6-difluorophenyl)-6-methylpyridazine?
The InChIKey is DUSSDRZXEPMRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F2N3/c1-8-13(9-5-6-12(17)21-7-9)15(16(18)23-22-8)14-10(19)3-2-4-11(14)20/h2-7H,1H3.
What are the key properties of 3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,6-difluorophenyl)-6-methylpyridazine?
3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,6-difluorophenyl)-6-methylpyridazine has a molecular weight of 352.17 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(6-chloro-3-pyridinyl)-4-(2,6-difluorophenyl)-6-methylpyridazine is sourced from PubChem (CID 70689543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).