7-amino-4-(1,1,2,2,2-pentafluoroethyl)-1H-1,8-naphthyridin-2-one

C10H6F5N3O — CID 170622695

IUPAC7-amino-4-(1,1,2,2,2-pentafluoroethyl)-1H-1,8-naphthyridin-2-one
SMILESNc1ccc2c(C(F)(F)C(F)(F)F)cc(=O)[nH]c2n1
InChIInChI=1S/C10H6F5N3O/c11-9(12,10(13,14)15)5-3-7(19)18-8-4(5)1-2-6(16)17-8/h1-3H,(H3,16,17,18,19)
InChIKeyCWRHNKUGUIQAOJ-UHFFFAOYSA-N
MW279.17 g/mol
LogP2.16
Rot. Bonds1

About 7-amino-4-(1,1,2,2,2-pentafluoroethyl)-1H-1,8-naphthyridin-2-one

7-amino-4-(1,1,2,2,2-pentafluoroethyl)-1H-1,8-naphthyridin-2-one (PubChem CID 170622695) has the molecular formula C10H6F5N3O and a molecular weight of 279.17 g/mol. Its IUPAC name is 7-amino-4-(1,1,2,2,2-pentafluoroethyl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-amino-4-(1,1,2,2,2-pentafluoroethyl)-1H-1,8-naphthyridin-2-one
PubChem CID170622695
Molecular FormulaC10H6F5N3O
Molecular Weight279.17 g/mol
Exact Mass279.04
IUPAC Name7-amino-4-(1,1,2,2,2-pentafluoroethyl)-1H-1,8-naphthyridin-2-one
SMILESNc1ccc2c(C(F)(F)C(F)(F)F)cc(=O)[nH]c2n1
InChIInChI=1S/C10H6F5N3O/c11-9(12,10(13,14)15)5-3-7(19)18-8-4(5)1-2-6(16)17-8/h1-3H,(H3,16,17,18,19)
InChIKeyCWRHNKUGUIQAOJ-UHFFFAOYSA-N
XLogP2.16
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-(1,1,2,2,2-pentafluoroethyl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-amino-4-(1,1,2,2,2-pentafluoroethyl)-1H-1,8-naphthyridin-2-one (CID 170622695) is 7-amino-4-(1,1,2,2,2-pentafluoroethyl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-amino-4-(1,1,2,2,2-pentafluoroethyl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-amino-4-(1,1,2,2,2-pentafluoroethyl)-1H-1,8-naphthyridin-2-one is Nc1ccc2c(C(F)(F)C(F)(F)F)cc(=O)[nH]c2n1.
What is the InChIKey of 7-amino-4-(1,1,2,2,2-pentafluoroethyl)-1H-1,8-naphthyridin-2-one?
The InChIKey is CWRHNKUGUIQAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F5N3O/c11-9(12,10(13,14)15)5-3-7(19)18-8-4(5)1-2-6(16)17-8/h1-3H,(H3,16,17,18,19).
What are the key properties of 7-amino-4-(1,1,2,2,2-pentafluoroethyl)-1H-1,8-naphthyridin-2-one?
7-amino-4-(1,1,2,2,2-pentafluoroethyl)-1H-1,8-naphthyridin-2-one has a molecular weight of 279.17 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-(1,1,2,2,2-pentafluoroethyl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 170622695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).