3-chloro-6-[4-(difluoromethyl)imidazol-1-yl]pyridazine

C8H5ClF2N4 — CID 90020915

IUPAC3-chloro-6-[4-(difluoromethyl)imidazol-1-yl]pyridazine
SMILESFC(F)c1cn(-c2ccc(Cl)nn2)cn1
InChIInChI=1S/C8H5ClF2N4/c9-6-1-2-7(14-13-6)15-3-5(8(10)11)12-4-15/h1-4,8H
InChIKeyUZKGWDMQZFWRHV-UHFFFAOYSA-N
MW230.61 g/mol
LogP2.25
Rot. Bonds2

About 3-chloro-6-[4-(difluoromethyl)imidazol-1-yl]pyridazine

3-chloro-6-[4-(difluoromethyl)imidazol-1-yl]pyridazine (PubChem CID 90020915) has the molecular formula C8H5ClF2N4 and a molecular weight of 230.61 g/mol. Its IUPAC name is 3-chloro-6-[4-(difluoromethyl)imidazol-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-(difluoromethyl)imidazol-1-yl]pyridazine
PubChem CID90020915
Molecular FormulaC8H5ClF2N4
Molecular Weight230.61 g/mol
Exact Mass230.02
IUPAC Name3-chloro-6-[4-(difluoromethyl)imidazol-1-yl]pyridazine
SMILESFC(F)c1cn(-c2ccc(Cl)nn2)cn1
InChIInChI=1S/C8H5ClF2N4/c9-6-1-2-7(14-13-6)15-3-5(8(10)11)12-4-15/h1-4,8H
InChIKeyUZKGWDMQZFWRHV-UHFFFAOYSA-N
XLogP2.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.61
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(difluoromethyl)imidazol-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[4-(difluoromethyl)imidazol-1-yl]pyridazine (CID 90020915) is 3-chloro-6-[4-(difluoromethyl)imidazol-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-(difluoromethyl)imidazol-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-(difluoromethyl)imidazol-1-yl]pyridazine is FC(F)c1cn(-c2ccc(Cl)nn2)cn1.
What is the InChIKey of 3-chloro-6-[4-(difluoromethyl)imidazol-1-yl]pyridazine?
The InChIKey is UZKGWDMQZFWRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N4/c9-6-1-2-7(14-13-6)15-3-5(8(10)11)12-4-15/h1-4,8H.
What are the key properties of 3-chloro-6-[4-(difluoromethyl)imidazol-1-yl]pyridazine?
3-chloro-6-[4-(difluoromethyl)imidazol-1-yl]pyridazine has a molecular weight of 230.61 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(difluoromethyl)imidazol-1-yl]pyridazine is sourced from PubChem (CID 90020915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).