1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate

C20H20F4N2O5 — CID 177358357

IUPAC1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)C2CCC(C)O2)ccn1.Fc1cccc(OC(F)F)c1F
InChIInChI=1S/C13H16N2O4.C7H4F4O/c1-8-3-4-11(19-8)12(16)15-9-5-6-14-10(7-9)13(17)18-2;8-4-2-1-3-5(6(4)9)12-7(10)11/h5-8,11H,3-4H2,1-2H3,(H,14,15,16);1-3,7H
InChIKeyGJNMUAHWZJKVLH-UHFFFAOYSA-N
MW444.38 g/mol
LogP3.94
Rot. Bonds5

About 1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate

1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate (PubChem CID 177358357) has the molecular formula C20H20F4N2O5 and a molecular weight of 444.38 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Name1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
PubChem CID177358357
Molecular FormulaC20H20F4N2O5
Molecular Weight444.38 g/mol
Exact Mass444.13
IUPAC Name1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)C2CCC(C)O2)ccn1.Fc1cccc(OC(F)F)c1F
InChIInChI=1S/C13H16N2O4.C7H4F4O/c1-8-3-4-11(19-8)12(16)15-9-5-6-14-10(7-9)13(17)18-2;8-4-2-1-3-5(6(4)9)12-7(10)11/h5-8,11H,3-4H2,1-2H3,(H,14,15,16);1-3,7H
InChIKeyGJNMUAHWZJKVLH-UHFFFAOYSA-N
XLogP3.94
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclobutyloxy-2,3-difluorobenzene;formonitrile;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159830
1,2-difluoro-3-methoxybenzene;5-methyl-N-[2-(methylamino)-4-pyridinyl]oxolane-2-carboxamide
CID 166161077
3-[(2,3-difluorophenoxy)methyl]-3-fluorooxetane;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159913
3-[(2,3-difluorophenoxy)methyl]-3-fluoro-1-methylazetidine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159908
1,2-difluoro-3-methoxybenzene;ethane;N-[2-[2-(methylamino)ethoxy]ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 177357824
5-[(2,3-difluorophenoxy)methyl]-1-methylimidazole;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159394
1-(cyclopropylmethoxy)-2-fluoro-3-methoxybenzene;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 166159794
1,2-difluoro-3-propan-2-yloxybenzene;5-methyl-N-(4-methylsulfinyl-2-pyridinyl)oxolane-2-carboxamide
CID 166160710
N-(3H-benzimidazol-5-yl)-5-methyloxolane-2-carboxamide;1,2-difluoro-3-methoxybenzene
CID 166160168
N-[2-(3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine-4-carbonyl)-4-pyridinyl]-5-methyloxolane-2-carboxamide;1,2-difluoro-3-methoxybenzene
CID 166159273
3-(2-fluorophenoxy)-N-propan-2-ylpropan-1-amine;4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
CID 178082658
1,2-difluoro-3-methoxybenzene;5-methyl-N-(2-methyl-4-pyridinyl)oxolane-2-carboxamide;6-oxa-3-azabicyclo[3.1.1]heptane-3-carbaldehyde
CID 166159460

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate?
The IUPAC name of 1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate (CID 177358357) is 1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for 1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate?
The canonical SMILES for 1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate is COC(=O)c1cc(NC(=O)C2CCC(C)O2)ccn1.Fc1cccc(OC(F)F)c1F.
What is the InChIKey of 1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate?
The InChIKey is GJNMUAHWZJKVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4.C7H4F4O/c1-8-3-4-11(19-8)12(16)15-9-5-6-14-10(7-9)13(17)18-2;8-4-2-1-3-5(6(4)9)12-7(10)11/h5-8,11H,3-4H2,1-2H3,(H,14,15,16);1-3,7H.
What are the key properties of 1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate?
1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate has a molecular weight of 444.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2,3-difluorobenzene;methyl 4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 177358357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).