methyl 4-chloro-6-(2,6-difluorophenyl)pyridazine-3-carboxylate

C12H7ClF2N2O2 — CID 150500378

IUPACmethyl 4-chloro-6-(2,6-difluorophenyl)pyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2c(F)cccc2F)cc1Cl
InChIInChI=1S/C12H7ClF2N2O2/c1-19-12(18)11-6(13)5-9(16-17-11)10-7(14)3-2-4-8(10)15/h2-5H,1H3
InChIKeyHXRPDAOTZQDACP-UHFFFAOYSA-N
MW284.65 g/mol
LogP2.86
Rot. Bonds2

About methyl 4-chloro-6-(2,6-difluorophenyl)pyridazine-3-carboxylate

methyl 4-chloro-6-(2,6-difluorophenyl)pyridazine-3-carboxylate (PubChem CID 150500378) has the molecular formula C12H7ClF2N2O2 and a molecular weight of 284.65 g/mol. Its IUPAC name is methyl 4-chloro-6-(2,6-difluorophenyl)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-6-(2,6-difluorophenyl)pyridazine-3-carboxylate
PubChem CID150500378
Molecular FormulaC12H7ClF2N2O2
Molecular Weight284.65 g/mol
Exact Mass284.02
IUPAC Namemethyl 4-chloro-6-(2,6-difluorophenyl)pyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2c(F)cccc2F)cc1Cl
InChIInChI=1S/C12H7ClF2N2O2/c1-19-12(18)11-6(13)5-9(16-17-11)10-7(14)3-2-4-8(10)15/h2-5H,1H3
InChIKeyHXRPDAOTZQDACP-UHFFFAOYSA-N
XLogP2.86
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.65
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-6-(2,6-difluorophenyl)pyridazine-3-carboxylate?
The IUPAC name of methyl 4-chloro-6-(2,6-difluorophenyl)pyridazine-3-carboxylate (CID 150500378) is methyl 4-chloro-6-(2,6-difluorophenyl)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 4-chloro-6-(2,6-difluorophenyl)pyridazine-3-carboxylate?
The canonical SMILES for methyl 4-chloro-6-(2,6-difluorophenyl)pyridazine-3-carboxylate is COC(=O)c1nnc(-c2c(F)cccc2F)cc1Cl.
What is the InChIKey of methyl 4-chloro-6-(2,6-difluorophenyl)pyridazine-3-carboxylate?
The InChIKey is HXRPDAOTZQDACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2O2/c1-19-12(18)11-6(13)5-9(16-17-11)10-7(14)3-2-4-8(10)15/h2-5H,1H3.
What are the key properties of methyl 4-chloro-6-(2,6-difluorophenyl)pyridazine-3-carboxylate?
methyl 4-chloro-6-(2,6-difluorophenyl)pyridazine-3-carboxylate has a molecular weight of 284.65 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-6-(2,6-difluorophenyl)pyridazine-3-carboxylate is sourced from PubChem (CID 150500378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).