1-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]ethanone

C17H13F3N2O3 — CID 11110894

IUPAC1-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]ethanone
SMILESCOc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(C)=O)oc3n2)cc1
InChIInChI=1S/C17H13F3N2O3/c1-8(23)15-14(21)13-11(17(18,19)20)7-12(22-16(13)25-15)9-3-5-10(24-2)6-4-9/h3-7H,21H2,1-2H3
InChIKeyOKFSIUADDSNCJU-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.31
Rot. Bonds3

About 1-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]ethanone

1-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]ethanone (PubChem CID 11110894) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 1-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]ethanone
PubChem CID11110894
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name1-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]ethanone
SMILESCOc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(C)=O)oc3n2)cc1
InChIInChI=1S/C17H13F3N2O3/c1-8(23)15-14(21)13-11(17(18,19)20)7-12(22-16(13)25-15)9-3-5-10(24-2)6-4-9/h3-7H,21H2,1-2H3
InChIKeyOKFSIUADDSNCJU-UHFFFAOYSA-N
XLogP4.31
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]ethanone?
The IUPAC name of 1-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]ethanone (CID 11110894) is 1-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]ethanone is COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(C)=O)oc3n2)cc1.
What is the InChIKey of 1-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]ethanone?
The InChIKey is OKFSIUADDSNCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c1-8(23)15-14(21)13-11(17(18,19)20)7-12(22-16(13)25-15)9-3-5-10(24-2)6-4-9/h3-7H,21H2,1-2H3.
What are the key properties of 1-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]ethanone?
1-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]ethanone has a molecular weight of 350.30 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]ethanone is sourced from PubChem (CID 11110894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).