methyl 4-(3,4-difluoro-2-methoxyphenoxy)-6-methylpyridazine-3-carboxylate

C14H12F2N2O4 — CID 171072149

IUPACmethyl 4-(3,4-difluoro-2-methoxyphenoxy)-6-methylpyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(C)cc1Oc1ccc(F)c(F)c1OC
InChIInChI=1S/C14H12F2N2O4/c1-7-6-10(12(18-17-7)14(19)21-3)22-9-5-4-8(15)11(16)13(9)20-2/h4-6H,1-3H3
InChIKeyNXUKYOVMTSXDHU-UHFFFAOYSA-N
MW310.26 g/mol
LogP2.65
Rot. Bonds4

About methyl 4-(3,4-difluoro-2-methoxyphenoxy)-6-methylpyridazine-3-carboxylate

methyl 4-(3,4-difluoro-2-methoxyphenoxy)-6-methylpyridazine-3-carboxylate (PubChem CID 171072149) has the molecular formula C14H12F2N2O4 and a molecular weight of 310.26 g/mol. Its IUPAC name is methyl 4-(3,4-difluoro-2-methoxyphenoxy)-6-methylpyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3,4-difluoro-2-methoxyphenoxy)-6-methylpyridazine-3-carboxylate
PubChem CID171072149
Molecular FormulaC14H12F2N2O4
Molecular Weight310.26 g/mol
Exact Mass310.08
IUPAC Namemethyl 4-(3,4-difluoro-2-methoxyphenoxy)-6-methylpyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(C)cc1Oc1ccc(F)c(F)c1OC
InChIInChI=1S/C14H12F2N2O4/c1-7-6-10(12(18-17-7)14(19)21-3)22-9-5-4-8(15)11(16)13(9)20-2/h4-6H,1-3H3
InChIKeyNXUKYOVMTSXDHU-UHFFFAOYSA-N
XLogP2.65
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-difluoro-2-methoxyphenoxy)-N-(3-methylsulfanylphenyl)-6-(trifluoromethyl)pyridazine-3-carboxamide;ethane
CID 171071780
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
3-cyclopropyloxy-6-(3,4-difluoro-2-methoxyphenoxy)-2-fluorobenzoic acid
CID 154645221
tert-butyl 6-(3,4-difluoro-2-methoxyphenoxy)-2-methyl-3-(trifluoromethyl)benzoate
CID 154645445
methyl 5-[[6-(3,4-difluoro-2-methoxyphenoxy)-2-fluoro-4-methoxy-3-(trifluoromethyl)benzoyl]amino]pyrimidine-2-carboxylate
CID 154645475
methyl 3-(3,4-difluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 172639789
4-[[4-chloro-6-(3,4-difluoro-2-methoxyphenoxy)-2-fluoro-3-methylbenzoyl]amino]pyridine-2-carboxamide
CID 154645130
methyl 3-chloro-4-methoxy-6-methylpyridine-2-carboxylate
CID 142574242
N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108515639
methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate
CID 66916355
5-bromo-N-(3-carbamoylphenyl)-2-(3,4-difluoro-2-methoxyphenoxy)pyridine-3-carboxamide
CID 167198230
N-(3-acetyl-4-pyridinyl)-2-(3,4-difluoro-2-methoxyphenoxy)-5-fluoro-4-(trifluoromethyl)benzamide
CID 169249630

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,4-difluoro-2-methoxyphenoxy)-6-methylpyridazine-3-carboxylate?
The IUPAC name of methyl 4-(3,4-difluoro-2-methoxyphenoxy)-6-methylpyridazine-3-carboxylate (CID 171072149) is methyl 4-(3,4-difluoro-2-methoxyphenoxy)-6-methylpyridazine-3-carboxylate.
What is the SMILES notation for methyl 4-(3,4-difluoro-2-methoxyphenoxy)-6-methylpyridazine-3-carboxylate?
The canonical SMILES for methyl 4-(3,4-difluoro-2-methoxyphenoxy)-6-methylpyridazine-3-carboxylate is COC(=O)c1nnc(C)cc1Oc1ccc(F)c(F)c1OC.
What is the InChIKey of methyl 4-(3,4-difluoro-2-methoxyphenoxy)-6-methylpyridazine-3-carboxylate?
The InChIKey is NXUKYOVMTSXDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O4/c1-7-6-10(12(18-17-7)14(19)21-3)22-9-5-4-8(15)11(16)13(9)20-2/h4-6H,1-3H3.
What are the key properties of methyl 4-(3,4-difluoro-2-methoxyphenoxy)-6-methylpyridazine-3-carboxylate?
methyl 4-(3,4-difluoro-2-methoxyphenoxy)-6-methylpyridazine-3-carboxylate has a molecular weight of 310.26 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,4-difluoro-2-methoxyphenoxy)-6-methylpyridazine-3-carboxylate is sourced from PubChem (CID 171072149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).