tert-butyl N-[6-(difluoromethyl)-5-methoxypyridazin-3-yl]carbamate

C11H15F2N3O3 — CID 164537024

IUPACtert-butyl N-[6-(difluoromethyl)-5-methoxypyridazin-3-yl]carbamate
SMILESCOc1cc(NC(=O)OC(C)(C)C)nnc1C(F)F
InChIInChI=1S/C11H15F2N3O3/c1-11(2,3)19-10(17)14-7-5-6(18-4)8(9(12)13)16-15-7/h5,9H,1-4H3,(H,14,15,17)
InChIKeyPUHDBKUBFCNEMA-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.77
Rot. Bonds3

About tert-butyl N-[6-(difluoromethyl)-5-methoxypyridazin-3-yl]carbamate

tert-butyl N-[6-(difluoromethyl)-5-methoxypyridazin-3-yl]carbamate (PubChem CID 164537024) has the molecular formula C11H15F2N3O3 and a molecular weight of 275.25 g/mol. Its IUPAC name is tert-butyl N-[6-(difluoromethyl)-5-methoxypyridazin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(difluoromethyl)-5-methoxypyridazin-3-yl]carbamate
PubChem CID164537024
Molecular FormulaC11H15F2N3O3
Molecular Weight275.25 g/mol
Exact Mass275.11
IUPAC Nametert-butyl N-[6-(difluoromethyl)-5-methoxypyridazin-3-yl]carbamate
SMILESCOc1cc(NC(=O)OC(C)(C)C)nnc1C(F)F
InChIInChI=1S/C11H15F2N3O3/c1-11(2,3)19-10(17)14-7-5-6(18-4)8(9(12)13)16-15-7/h5,9H,1-4H3,(H,14,15,17)
InChIKeyPUHDBKUBFCNEMA-UHFFFAOYSA-N
XLogP2.77
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(6-formyl-5-methoxypyridazin-3-yl)carbamate
CID 164537142
methyl 2-[3-chloro-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazin-4-yl]acetate
CID 164525057
tert-butyl N-(6-chloropyridazin-3-yl)carbamate
CID 57415766
tert-butyl N-(4-formyl-2,6-dimethoxyphenyl)carbamate
CID 84812097
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 65143046
tert-butyl N-(6-chloro-2-methoxypyrimidin-4-yl)carbamate
CID 144985934
tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate
CID 133080787
tert-butyl N-[1-(2-methoxyphenyl)triazol-4-yl]carbamate
CID 139599995
tert-butyl N-[4-(hydroxymethyl)-3-methoxyphenyl]carbamate
CID 117236522

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(difluoromethyl)-5-methoxypyridazin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[6-(difluoromethyl)-5-methoxypyridazin-3-yl]carbamate (CID 164537024) is tert-butyl N-[6-(difluoromethyl)-5-methoxypyridazin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(difluoromethyl)-5-methoxypyridazin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-(difluoromethyl)-5-methoxypyridazin-3-yl]carbamate is COc1cc(NC(=O)OC(C)(C)C)nnc1C(F)F.
What is the InChIKey of tert-butyl N-[6-(difluoromethyl)-5-methoxypyridazin-3-yl]carbamate?
The InChIKey is PUHDBKUBFCNEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O3/c1-11(2,3)19-10(17)14-7-5-6(18-4)8(9(12)13)16-15-7/h5,9H,1-4H3,(H,14,15,17).
What are the key properties of tert-butyl N-[6-(difluoromethyl)-5-methoxypyridazin-3-yl]carbamate?
tert-butyl N-[6-(difluoromethyl)-5-methoxypyridazin-3-yl]carbamate has a molecular weight of 275.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(difluoromethyl)-5-methoxypyridazin-3-yl]carbamate is sourced from PubChem (CID 164537024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).