3,6-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridazine

C10H12Cl2N2O3 — CID 87485818

IUPAC3,6-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridazine
SMILESCC1(C)OC[C@@H](COc2cc(Cl)nnc2Cl)O1
InChIInChI=1S/C10H12Cl2N2O3/c1-10(2)16-5-6(17-10)4-15-7-3-8(11)13-14-9(7)12/h3,6H,4-5H2,1-2H3/t6-/m1/s1
InChIKeyPRARMZWFQGCNJW-ZCFIWIBFSA-N
MW279.12 g/mol
LogP2.31
Rot. Bonds3

About 3,6-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridazine

3,6-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridazine (PubChem CID 87485818) has the molecular formula C10H12Cl2N2O3 and a molecular weight of 279.12 g/mol. Its IUPAC name is 3,6-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridazine
PubChem CID87485818
Molecular FormulaC10H12Cl2N2O3
Molecular Weight279.12 g/mol
Exact Mass278.02
IUPAC Name3,6-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridazine
SMILESCC1(C)OC[C@@H](COc2cc(Cl)nnc2Cl)O1
InChIInChI=1S/C10H12Cl2N2O3/c1-10(2)16-5-6(17-10)4-15-7-3-8(11)13-14-9(7)12/h3,6H,4-5H2,1-2H3/t6-/m1/s1
InChIKeyPRARMZWFQGCNJW-ZCFIWIBFSA-N
XLogP2.31
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridazine?
The IUPAC name of 3,6-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridazine (CID 87485818) is 3,6-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridazine.
What is the SMILES notation for 3,6-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridazine?
The canonical SMILES for 3,6-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridazine is CC1(C)OC[C@@H](COc2cc(Cl)nnc2Cl)O1.
What is the InChIKey of 3,6-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridazine?
The InChIKey is PRARMZWFQGCNJW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3/c1-10(2)16-5-6(17-10)4-15-7-3-8(11)13-14-9(7)12/h3,6H,4-5H2,1-2H3/t6-/m1/s1.
What are the key properties of 3,6-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridazine?
3,6-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridazine has a molecular weight of 279.12 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]pyridazine is sourced from PubChem (CID 87485818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).