6-chloro-2-(2,2,2-trifluoroethyl)-2,7-naphthyridin-1-one

C10H6ClF3N2O — CID 157038129

IUPAC6-chloro-2-(2,2,2-trifluoroethyl)-2,7-naphthyridin-1-one
SMILESO=c1c2cnc(Cl)cc2ccn1CC(F)(F)F
InChIInChI=1S/C10H6ClF3N2O/c11-8-3-6-1-2-16(5-10(12,13)14)9(17)7(6)4-15-8/h1-4H,5H2
InChIKeyYWRUCCYMDNCYOI-UHFFFAOYSA-N
MW262.62 g/mol
LogP2.61
Rot. Bonds1

About 6-chloro-2-(2,2,2-trifluoroethyl)-2,7-naphthyridin-1-one

6-chloro-2-(2,2,2-trifluoroethyl)-2,7-naphthyridin-1-one (PubChem CID 157038129) has the molecular formula C10H6ClF3N2O and a molecular weight of 262.62 g/mol. Its IUPAC name is 6-chloro-2-(2,2,2-trifluoroethyl)-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-chloro-2-(2,2,2-trifluoroethyl)-2,7-naphthyridin-1-one
PubChem CID157038129
Molecular FormulaC10H6ClF3N2O
Molecular Weight262.62 g/mol
Exact Mass262.01
IUPAC Name6-chloro-2-(2,2,2-trifluoroethyl)-2,7-naphthyridin-1-one
SMILESO=c1c2cnc(Cl)cc2ccn1CC(F)(F)F
InChIInChI=1S/C10H6ClF3N2O/c11-8-3-6-1-2-16(5-10(12,13)14)9(17)7(6)4-15-8/h1-4H,5H2
InChIKeyYWRUCCYMDNCYOI-UHFFFAOYSA-N
XLogP2.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(trideuteriomethyl)-2,7-naphthyridin-1-one
CID 155026829
7-bromo-2-(2,2,2-trifluoroethyl)isoquinolin-1-one
CID 59420849
6,8-dichloro-3-(2,2,2-trifluoroethyl)pyrido[3,4-d]pyrimidin-4-one
CID 172611990
6-[5-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-2-(2,2,3,3,3-pentafluoropropyl)-2,7-naphthyridin-1-one
CID 157038122
5-bromo-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridine
CID 118508217
6-chloro-4-[[1-methyl-4-oxo-5-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171436807
6-(1,1-difluoropropyl)-2-methyl-2,7-naphthyridin-1-one
CID 154670352
6-chloro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazolo[4,3-c]pyridine
CID 157033828
7-chloro-3-propan-2-ylpyrido[3,4-d]pyridazin-4-one
CID 167949901
7-(2,2,2-trifluoroethyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 138608380
4-amino-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 70237327
6-chloro-8-[(1S,2S)-2-[1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157032271

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,2,2-trifluoroethyl)-2,7-naphthyridin-1-one?
The IUPAC name of 6-chloro-2-(2,2,2-trifluoroethyl)-2,7-naphthyridin-1-one (CID 157038129) is 6-chloro-2-(2,2,2-trifluoroethyl)-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-chloro-2-(2,2,2-trifluoroethyl)-2,7-naphthyridin-1-one?
The canonical SMILES for 6-chloro-2-(2,2,2-trifluoroethyl)-2,7-naphthyridin-1-one is O=c1c2cnc(Cl)cc2ccn1CC(F)(F)F.
What is the InChIKey of 6-chloro-2-(2,2,2-trifluoroethyl)-2,7-naphthyridin-1-one?
The InChIKey is YWRUCCYMDNCYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2O/c11-8-3-6-1-2-16(5-10(12,13)14)9(17)7(6)4-15-8/h1-4H,5H2.
What are the key properties of 6-chloro-2-(2,2,2-trifluoroethyl)-2,7-naphthyridin-1-one?
6-chloro-2-(2,2,2-trifluoroethyl)-2,7-naphthyridin-1-one has a molecular weight of 262.62 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,2,2-trifluoroethyl)-2,7-naphthyridin-1-one is sourced from PubChem (CID 157038129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).