3-chloro-4-[2-(1,1-difluoroethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine

C15H15ClF2N4O2 — CID 146736822

IUPAC3-chloro-4-[2-(1,1-difluoroethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine
SMILESCOc1ncc(-c2cc(C3CC3C(C)(F)F)c(Cl)nn2)c(OC)n1
InChIInChI=1S/C15H15ClF2N4O2/c1-15(17,18)10-4-7(10)8-5-11(21-22-12(8)16)9-6-19-14(24-3)20-13(9)23-2/h5-7,10H,4H2,1-3H3
InChIKeyRJKGPNAPBIZPFW-UHFFFAOYSA-N
MW356.76 g/mol
LogP3.36
Rot. Bonds5

About 3-chloro-4-[2-(1,1-difluoroethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine

3-chloro-4-[2-(1,1-difluoroethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine (PubChem CID 146736822) has the molecular formula C15H15ClF2N4O2 and a molecular weight of 356.76 g/mol. Its IUPAC name is 3-chloro-4-[2-(1,1-difluoroethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-4-[2-(1,1-difluoroethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine
PubChem CID146736822
Molecular FormulaC15H15ClF2N4O2
Molecular Weight356.76 g/mol
Exact Mass356.09
IUPAC Name3-chloro-4-[2-(1,1-difluoroethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine
SMILESCOc1ncc(-c2cc(C3CC3C(C)(F)F)c(Cl)nn2)c(OC)n1
InChIInChI=1S/C15H15ClF2N4O2/c1-15(17,18)10-4-7(10)8-5-11(21-22-12(8)16)9-6-19-14(24-3)20-13(9)23-2/h5-7,10H,4H2,1-3H3
InChIKeyRJKGPNAPBIZPFW-UHFFFAOYSA-N
XLogP3.36
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.76
LogP ≤ 53.36
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-(1,1-difluoroethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine?
The IUPAC name of 3-chloro-4-[2-(1,1-difluoroethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine (CID 146736822) is 3-chloro-4-[2-(1,1-difluoroethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine.
What is the SMILES notation for 3-chloro-4-[2-(1,1-difluoroethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine?
The canonical SMILES for 3-chloro-4-[2-(1,1-difluoroethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine is COc1ncc(-c2cc(C3CC3C(C)(F)F)c(Cl)nn2)c(OC)n1.
What is the InChIKey of 3-chloro-4-[2-(1,1-difluoroethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine?
The InChIKey is RJKGPNAPBIZPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N4O2/c1-15(17,18)10-4-7(10)8-5-11(21-22-12(8)16)9-6-19-14(24-3)20-13(9)23-2/h5-7,10H,4H2,1-3H3.
What are the key properties of 3-chloro-4-[2-(1,1-difluoroethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine?
3-chloro-4-[2-(1,1-difluoroethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine has a molecular weight of 356.76 g/mol, XLogP of 3.36, 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-(1,1-difluoroethyl)cyclopropyl]-6-(2,4-dimethoxypyrimidin-5-yl)pyridazine is sourced from PubChem (CID 146736822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).