3-chloro-4-[2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine

C14H13ClF2N4O2 — CID 153338358

IUPAC3-chloro-4-[2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine
SMILESCOc1ncc(-c2cc(C3CC3C(F)F)c(Cl)nn2)c(OC)n1
InChIInChI=1S/C14H13ClF2N4O2/c1-22-13-9(5-18-14(19-13)23-2)10-4-7(11(15)21-20-10)6-3-8(6)12(16)17/h4-6,8,12H,3H2,1-2H3
InChIKeyNQUQLGGUKAKWMS-UHFFFAOYSA-N
MW342.73 g/mol
LogP2.97
Rot. Bonds5

About 3-chloro-4-[2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine

3-chloro-4-[2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine (PubChem CID 153338358) has the molecular formula C14H13ClF2N4O2 and a molecular weight of 342.73 g/mol. Its IUPAC name is 3-chloro-4-[2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-4-[2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine
PubChem CID153338358
Molecular FormulaC14H13ClF2N4O2
Molecular Weight342.73 g/mol
Exact Mass342.07
IUPAC Name3-chloro-4-[2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine
SMILESCOc1ncc(-c2cc(C3CC3C(F)F)c(Cl)nn2)c(OC)n1
InChIInChI=1S/C14H13ClF2N4O2/c1-22-13-9(5-18-14(19-13)23-2)10-4-7(11(15)21-20-10)6-3-8(6)12(16)17/h4-6,8,12H,3H2,1-2H3
InChIKeyNQUQLGGUKAKWMS-UHFFFAOYSA-N
XLogP2.97
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.73
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine?
The IUPAC name of 3-chloro-4-[2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine (CID 153338358) is 3-chloro-4-[2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine.
What is the SMILES notation for 3-chloro-4-[2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine?
The canonical SMILES for 3-chloro-4-[2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine is COc1ncc(-c2cc(C3CC3C(F)F)c(Cl)nn2)c(OC)n1.
What is the InChIKey of 3-chloro-4-[2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine?
The InChIKey is NQUQLGGUKAKWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N4O2/c1-22-13-9(5-18-14(19-13)23-2)10-4-7(11(15)21-20-10)6-3-8(6)12(16)17/h4-6,8,12H,3H2,1-2H3.
What are the key properties of 3-chloro-4-[2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine?
3-chloro-4-[2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine has a molecular weight of 342.73 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-(difluoromethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine is sourced from PubChem (CID 153338358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).