4-(aminomethyl)-1-(furan-3-yl)pyridin-2-one;2,2,2-trifluoroacetic acid

C12H11F3N2O4 — CID 68696561

IUPAC4-(aminomethyl)-1-(furan-3-yl)pyridin-2-one;2,2,2-trifluoroacetic acid
SMILESNCc1ccn(-c2ccoc2)c(=O)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H10N2O2.C2HF3O2/c11-6-8-1-3-12(10(13)5-8)9-2-4-14-7-9;3-2(4,5)1(6)7/h1-5,7H,6,11H2;(H,6,7)
InChIKeyXQSLUGCZRVZDHM-UHFFFAOYSA-N
MW304.22 g/mol
LogP1.52
Rot. Bonds2

About 4-(aminomethyl)-1-(furan-3-yl)pyridin-2-one;2,2,2-trifluoroacetic acid

4-(aminomethyl)-1-(furan-3-yl)pyridin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 68696561) has the molecular formula C12H11F3N2O4 and a molecular weight of 304.22 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(furan-3-yl)pyridin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(aminomethyl)-1-(furan-3-yl)pyridin-2-one;2,2,2-trifluoroacetic acid
PubChem CID68696561
Molecular FormulaC12H11F3N2O4
Molecular Weight304.22 g/mol
Exact Mass304.07
IUPAC Name4-(aminomethyl)-1-(furan-3-yl)pyridin-2-one;2,2,2-trifluoroacetic acid
SMILESNCc1ccn(-c2ccoc2)c(=O)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H10N2O2.C2HF3O2/c11-6-8-1-3-12(10(13)5-8)9-2-4-14-7-9;3-2(4,5)1(6)7/h1-5,7H,6,11H2;(H,6,7)
InChIKeyXQSLUGCZRVZDHM-UHFFFAOYSA-N
XLogP1.52
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(furan-3-yl)pyridin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(aminomethyl)-1-(furan-3-yl)pyridin-2-one;2,2,2-trifluoroacetic acid (CID 68696561) is 4-(aminomethyl)-1-(furan-3-yl)pyridin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(aminomethyl)-1-(furan-3-yl)pyridin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(aminomethyl)-1-(furan-3-yl)pyridin-2-one;2,2,2-trifluoroacetic acid is NCc1ccn(-c2ccoc2)c(=O)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-1-(furan-3-yl)pyridin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is XQSLUGCZRVZDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2.C2HF3O2/c11-6-8-1-3-12(10(13)5-8)9-2-4-14-7-9;3-2(4,5)1(6)7/h1-5,7H,6,11H2;(H,6,7).
What are the key properties of 4-(aminomethyl)-1-(furan-3-yl)pyridin-2-one;2,2,2-trifluoroacetic acid?
4-(aminomethyl)-1-(furan-3-yl)pyridin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 304.22 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(furan-3-yl)pyridin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68696561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).