(3-methoxycarbonylfuran-2-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate

C14H11F2NO5S — CID 55517101

IUPAC(3-methoxycarbonylfuran-2-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)c1cccnc1SC(F)F
InChIInChI=1S/C14H11F2NO5S/c1-20-12(18)8-4-6-21-10(8)7-22-13(19)9-3-2-5-17-11(9)23-14(15)16/h2-6,14H,7H2,1H3
InChIKeyQYEPTJHMVMIOPV-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.13
Rot. Bonds6

About (3-methoxycarbonylfuran-2-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate

(3-methoxycarbonylfuran-2-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate (PubChem CID 55517101) has the molecular formula C14H11F2NO5S and a molecular weight of 343.31 g/mol. Its IUPAC name is (3-methoxycarbonylfuran-2-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name(3-methoxycarbonylfuran-2-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
PubChem CID55517101
Molecular FormulaC14H11F2NO5S
Molecular Weight343.31 g/mol
Exact Mass343.03
IUPAC Name(3-methoxycarbonylfuran-2-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)c1cccnc1SC(F)F
InChIInChI=1S/C14H11F2NO5S/c1-20-12(18)8-4-6-21-10(8)7-22-13(19)9-3-2-5-17-11(9)23-14(15)16/h2-6,14H,7H2,1H3
InChIKeyQYEPTJHMVMIOPV-UHFFFAOYSA-N
XLogP3.13
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methoxycarbonylfuran-2-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate?
The IUPAC name of (3-methoxycarbonylfuran-2-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate (CID 55517101) is (3-methoxycarbonylfuran-2-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate.
What is the SMILES notation for (3-methoxycarbonylfuran-2-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate?
The canonical SMILES for (3-methoxycarbonylfuran-2-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate is COC(=O)c1ccoc1COC(=O)c1cccnc1SC(F)F.
What is the InChIKey of (3-methoxycarbonylfuran-2-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate?
The InChIKey is QYEPTJHMVMIOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO5S/c1-20-12(18)8-4-6-21-10(8)7-22-13(19)9-3-2-5-17-11(9)23-14(15)16/h2-6,14H,7H2,1H3.
What are the key properties of (3-methoxycarbonylfuran-2-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate?
(3-methoxycarbonylfuran-2-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate has a molecular weight of 343.31 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycarbonylfuran-2-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate is sourced from PubChem (CID 55517101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).