ethyl 2-amino-6-(2,6-difluorophenyl)furo[3,2-b]pyridine-3-carboxylate

C16H12F2N2O3 — CID 144796823

IUPACethyl 2-amino-6-(2,6-difluorophenyl)furo[3,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)oc2cc(-c3c(F)cccc3F)cnc12
InChIInChI=1S/C16H12F2N2O3/c1-2-22-16(21)13-14-11(23-15(13)19)6-8(7-20-14)12-9(17)4-3-5-10(12)18/h3-7H,2,19H2,1H3
InChIKeyRBQNMNJECCDQFS-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.53
Rot. Bonds3

About ethyl 2-amino-6-(2,6-difluorophenyl)furo[3,2-b]pyridine-3-carboxylate

ethyl 2-amino-6-(2,6-difluorophenyl)furo[3,2-b]pyridine-3-carboxylate (PubChem CID 144796823) has the molecular formula C16H12F2N2O3 and a molecular weight of 318.28 g/mol. Its IUPAC name is ethyl 2-amino-6-(2,6-difluorophenyl)furo[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6-(2,6-difluorophenyl)furo[3,2-b]pyridine-3-carboxylate
PubChem CID144796823
Molecular FormulaC16H12F2N2O3
Molecular Weight318.28 g/mol
Exact Mass318.08
IUPAC Nameethyl 2-amino-6-(2,6-difluorophenyl)furo[3,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(N)oc2cc(-c3c(F)cccc3F)cnc12
InChIInChI=1S/C16H12F2N2O3/c1-2-22-16(21)13-14-11(23-15(13)19)6-8(7-20-14)12-9(17)4-3-5-10(12)18/h3-7H,2,19H2,1H3
InChIKeyRBQNMNJECCDQFS-UHFFFAOYSA-N
XLogP3.53
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,6-difluorobenzoate
CID 519631
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CID 134623708
diethyl 3-(3-fluorophenyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
CID 164523379
ethyl 7-fluoro-2-methyl-1-benzofuran-3-carboxylate
CID 83397358
ethyl 6,8-dimethyl-3-phenylquinoline-5-carboxylate
CID 125495045
ethyl 2-(4-ethoxycarbonylphenyl)-6-fluorobenzoate
CID 102026387
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 59733474
ethyl 2-[(2,6-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 78771957
ethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 133104158
ethyl 7-fluoroquinoline-8-carboxylate
CID 71721095

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-(2,6-difluorophenyl)furo[3,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-6-(2,6-difluorophenyl)furo[3,2-b]pyridine-3-carboxylate (CID 144796823) is ethyl 2-amino-6-(2,6-difluorophenyl)furo[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-6-(2,6-difluorophenyl)furo[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-6-(2,6-difluorophenyl)furo[3,2-b]pyridine-3-carboxylate is CCOC(=O)c1c(N)oc2cc(-c3c(F)cccc3F)cnc12.
What is the InChIKey of ethyl 2-amino-6-(2,6-difluorophenyl)furo[3,2-b]pyridine-3-carboxylate?
The InChIKey is RBQNMNJECCDQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3/c1-2-22-16(21)13-14-11(23-15(13)19)6-8(7-20-14)12-9(17)4-3-5-10(12)18/h3-7H,2,19H2,1H3.
What are the key properties of ethyl 2-amino-6-(2,6-difluorophenyl)furo[3,2-b]pyridine-3-carboxylate?
ethyl 2-amino-6-(2,6-difluorophenyl)furo[3,2-b]pyridine-3-carboxylate has a molecular weight of 318.28 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-(2,6-difluorophenyl)furo[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 144796823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).