ethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate

C19H20FNO4 — CID 143636039

IUPACethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate
SMILESCC.CCOC(=O)c1oc2ccncc2c1Oc1ccc(C)cc1F
InChIInChI=1S/C17H14FNO4.C2H6/c1-3-21-17(20)16-15(11-9-19-7-6-13(11)22-16)23-14-5-4-10(2)8-12(14)18;1-2/h4-9H,3H2,1-2H3;1-2H3
InChIKeyDSWWDRCBGQUZOL-UHFFFAOYSA-N
MW345.37 g/mol
LogP5.27
Rot. Bonds4

About ethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate

ethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate (PubChem CID 143636039) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is ethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate
PubChem CID143636039
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Nameethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate
SMILESCC.CCOC(=O)c1oc2ccncc2c1Oc1ccc(C)cc1F
InChIInChI=1S/C17H14FNO4.C2H6/c1-3-21-17(20)16-15(11-9-19-7-6-13(11)22-16)23-14-5-4-10(2)8-12(14)18;1-2/h4-9H,3H2,1-2H3;1-2H3
InChIKeyDSWWDRCBGQUZOL-UHFFFAOYSA-N
XLogP5.27
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.37
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 143636254
ethyl 3-(2-chloro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 143636100
ethyl 3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)furo[3,2-c]pyridine-2-carboxylate
CID 86619542
CID 88885978
CID 88885978
ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate
CID 143636271
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxy)furo[3,2-c]pyridine-2-carboxamide
CID 143636209
ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol
CID 143636167
ethyl 3-ethyl-5-methyl-1-benzofuran-2-carboxylate
CID 138539367
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)furo[3,2-c]pyridine-2-carboxamide
CID 143636022
N-(2,3-dihydroxypropyl)-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;ethane
CID 143636219
[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 143636066
ethyl 3-methoxy-1-benzofuran-2-carboxylate
CID 10922024

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of ethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate (CID 143636039) is ethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for ethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for ethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate is CC.CCOC(=O)c1oc2ccncc2c1Oc1ccc(C)cc1F.
What is the InChIKey of ethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate?
The InChIKey is DSWWDRCBGQUZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4.C2H6/c1-3-21-17(20)16-15(11-9-19-7-6-13(11)22-16)23-14-5-4-10(2)8-12(14)18;1-2/h4-9H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate?
ethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate has a molecular weight of 345.37 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 3-(2-fluoro-4-methylphenoxy)furo[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 143636039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).