3,6-dichloro-4-(4,4-difluoro-2-methylpiperidin-1-yl)pyridazine

C10H11Cl2F2N3 — CID 167436919

IUPAC3,6-dichloro-4-(4,4-difluoro-2-methylpiperidin-1-yl)pyridazine
SMILESCC1CC(F)(F)CCN1c1cc(Cl)nnc1Cl
InChIInChI=1S/C10H11Cl2F2N3/c1-6-5-10(13,14)2-3-17(6)7-4-8(11)15-16-9(7)12/h4,6H,2-3,5H2,1H3
InChIKeyWCZPTJSUVWWPOQ-UHFFFAOYSA-N
MW282.12 g/mol
LogP3.41
Rot. Bonds1

About 3,6-dichloro-4-(4,4-difluoro-2-methylpiperidin-1-yl)pyridazine

3,6-dichloro-4-(4,4-difluoro-2-methylpiperidin-1-yl)pyridazine (PubChem CID 167436919) has the molecular formula C10H11Cl2F2N3 and a molecular weight of 282.12 g/mol. Its IUPAC name is 3,6-dichloro-4-(4,4-difluoro-2-methylpiperidin-1-yl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(4,4-difluoro-2-methylpiperidin-1-yl)pyridazine
PubChem CID167436919
Molecular FormulaC10H11Cl2F2N3
Molecular Weight282.12 g/mol
Exact Mass281.03
IUPAC Name3,6-dichloro-4-(4,4-difluoro-2-methylpiperidin-1-yl)pyridazine
SMILESCC1CC(F)(F)CCN1c1cc(Cl)nnc1Cl
InChIInChI=1S/C10H11Cl2F2N3/c1-6-5-10(13,14)2-3-17(6)7-4-8(11)15-16-9(7)12/h4,6H,2-3,5H2,1H3
InChIKeyWCZPTJSUVWWPOQ-UHFFFAOYSA-N
XLogP3.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-Dichloro-4-(piperidin-1-yl)pyridazine
CID 6401291
3-Chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazine
CID 114478281
3-Chloro-5-(4,4-difluoropiperidin-1-yl)pyridazine
CID 164644524
3,6-Dichloro-4-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridazine
CID 165128879
3,6-Dichloro-4-(3-fluoropyrrolidin-1-yl)pyridazine
CID 165128894
3,6-Dichloro-4-(4,4-difluoropiperidin-1-yl)pyridazine
CID 167436903
3,6-Dichloro-4-(3,3-difluoroazetidin-1-yl)pyridazine
CID 172561458
3-Chloro-5-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridazine
CID 176574584
3,6-dichloro-N,N-bis(prop-2-enyl)pyridazin-4-amine
CID 318721
3,6-dichloro-N-(2,2,2-trifluoroethyl)pyridazin-4-amine
CID 81764254
3,6-dichloro-N-(3,3,3-trifluoropropyl)pyridazin-4-amine
CID 81765054
3,6-dichloro-N-(2,2-difluoroethyl)pyridazin-4-amine
CID 81765152

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-(4,4-difluoro-2-methylpiperidin-1-yl)pyridazine?
The IUPAC name of 3,6-dichloro-4-(4,4-difluoro-2-methylpiperidin-1-yl)pyridazine (CID 167436919) is 3,6-dichloro-4-(4,4-difluoro-2-methylpiperidin-1-yl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4-(4,4-difluoro-2-methylpiperidin-1-yl)pyridazine?
The canonical SMILES for 3,6-dichloro-4-(4,4-difluoro-2-methylpiperidin-1-yl)pyridazine is CC1CC(F)(F)CCN1c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-4-(4,4-difluoro-2-methylpiperidin-1-yl)pyridazine?
The InChIKey is WCZPTJSUVWWPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2F2N3/c1-6-5-10(13,14)2-3-17(6)7-4-8(11)15-16-9(7)12/h4,6H,2-3,5H2,1H3.
What are the key properties of 3,6-dichloro-4-(4,4-difluoro-2-methylpiperidin-1-yl)pyridazine?
3,6-dichloro-4-(4,4-difluoro-2-methylpiperidin-1-yl)pyridazine has a molecular weight of 282.12 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(4,4-difluoro-2-methylpiperidin-1-yl)pyridazine is sourced from PubChem (CID 167436919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).