[4-(aminomethyl)-1-(furan-3-yl)-2H-pyridin-2-yl] 2,2,2-trifluoroacetate

C12H11F3N2O3 — CID 42625748

IUPAC[4-(aminomethyl)-1-(furan-3-yl)-2H-pyridin-2-yl] 2,2,2-trifluoroacetate
SMILESNCC1=CC(OC(=O)C(F)(F)F)N(c2ccoc2)C=C1
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)11(18)20-10-5-8(6-16)1-3-17(10)9-2-4-19-7-9/h1-5,7,10H,6,16H2
InChIKeyAZUYECHFABBGMW-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.93
Rot. Bonds3

About [4-(aminomethyl)-1-(furan-3-yl)-2H-pyridin-2-yl] 2,2,2-trifluoroacetate

[4-(aminomethyl)-1-(furan-3-yl)-2H-pyridin-2-yl] 2,2,2-trifluoroacetate (PubChem CID 42625748) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is [4-(aminomethyl)-1-(furan-3-yl)-2H-pyridin-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-(aminomethyl)-1-(furan-3-yl)-2H-pyridin-2-yl] 2,2,2-trifluoroacetate
PubChem CID42625748
Molecular FormulaC12H11F3N2O3
Molecular Weight288.23 g/mol
Exact Mass288.07
IUPAC Name[4-(aminomethyl)-1-(furan-3-yl)-2H-pyridin-2-yl] 2,2,2-trifluoroacetate
SMILESNCC1=CC(OC(=O)C(F)(F)F)N(c2ccoc2)C=C1
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)11(18)20-10-5-8(6-16)1-3-17(10)9-2-4-19-7-9/h1-5,7,10H,6,16H2
InChIKeyAZUYECHFABBGMW-UHFFFAOYSA-N
XLogP1.93
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Furan-3-yl)morpholine
CID 12009355
3-Furylaminobutyric acid
CID 68798095
4-aminomethyl-1-furan-3-yl-1H-pyridin-2-one.trifluoroacetic acid
CID 68696561
N-(2-fluoroethyl)furan-3-amine
CID 140143628
N-(2,2-difluoroethyl)furan-3-amine
CID 151412690
4,4-Difluoro-1-(furan-3-yl)piperidine
CID 175988490
N,N-diethylfuran-3-amine
CID 12009356
1-(Furan-3-yl)pyridin-4-one
CID 19788565
1-(furan-3-yl)-4H-pyridine
CID 20037028
N-but-3-enylfuran-3-amine
CID 22393549
2-(Furan-3-ylamino)acetic acid
CID 22614370
1-furan-3-yl-4-methyl-1H-pyridin-2-one
CID 42625744

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-1-(furan-3-yl)-2H-pyridin-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-(aminomethyl)-1-(furan-3-yl)-2H-pyridin-2-yl] 2,2,2-trifluoroacetate (CID 42625748) is [4-(aminomethyl)-1-(furan-3-yl)-2H-pyridin-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-(aminomethyl)-1-(furan-3-yl)-2H-pyridin-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-(aminomethyl)-1-(furan-3-yl)-2H-pyridin-2-yl] 2,2,2-trifluoroacetate is NCC1=CC(OC(=O)C(F)(F)F)N(c2ccoc2)C=C1.
What is the InChIKey of [4-(aminomethyl)-1-(furan-3-yl)-2H-pyridin-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is AZUYECHFABBGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c13-12(14,15)11(18)20-10-5-8(6-16)1-3-17(10)9-2-4-19-7-9/h1-5,7,10H,6,16H2.
What are the key properties of [4-(aminomethyl)-1-(furan-3-yl)-2H-pyridin-2-yl] 2,2,2-trifluoroacetate?
[4-(aminomethyl)-1-(furan-3-yl)-2H-pyridin-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 288.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-1-(furan-3-yl)-2H-pyridin-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 42625748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).