6-chloro-3-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxypyridazine

C9H7ClF2N4O — CID 164537328

IUPAC6-chloro-3-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxypyridazine
SMILESCOc1cc(Cl)nnc1-c1cnn(C(F)F)c1
InChIInChI=1S/C9H7ClF2N4O/c1-17-6-2-7(10)14-15-8(6)5-3-13-16(4-5)9(11)12/h2-4,9H,1H3
InChIKeyCJUMZXPFMIEOMU-UHFFFAOYSA-N
MW260.63 g/mol
LogP2.40
Rot. Bonds3

About 6-chloro-3-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxypyridazine

6-chloro-3-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxypyridazine (PubChem CID 164537328) has the molecular formula C9H7ClF2N4O and a molecular weight of 260.63 g/mol. Its IUPAC name is 6-chloro-3-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxypyridazine.

Molecular Properties

Compound Name6-chloro-3-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxypyridazine
PubChem CID164537328
Molecular FormulaC9H7ClF2N4O
Molecular Weight260.63 g/mol
Exact Mass260.03
IUPAC Name6-chloro-3-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxypyridazine
SMILESCOc1cc(Cl)nnc1-c1cnn(C(F)F)c1
InChIInChI=1S/C9H7ClF2N4O/c1-17-6-2-7(10)14-15-8(6)5-3-13-16(4-5)9(11)12/h2-4,9H,1H3
InChIKeyCJUMZXPFMIEOMU-UHFFFAOYSA-N
XLogP2.40
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.63
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxypyridazine?
The IUPAC name of 6-chloro-3-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxypyridazine (CID 164537328) is 6-chloro-3-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxypyridazine.
What is the SMILES notation for 6-chloro-3-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxypyridazine?
The canonical SMILES for 6-chloro-3-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxypyridazine is COc1cc(Cl)nnc1-c1cnn(C(F)F)c1.
What is the InChIKey of 6-chloro-3-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxypyridazine?
The InChIKey is CJUMZXPFMIEOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N4O/c1-17-6-2-7(10)14-15-8(6)5-3-13-16(4-5)9(11)12/h2-4,9H,1H3.
What are the key properties of 6-chloro-3-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxypyridazine?
6-chloro-3-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxypyridazine has a molecular weight of 260.63 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxypyridazine is sourced from PubChem (CID 164537328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).