2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide

C11H7F3N2O — CID 82575289

IUPAC2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide
SMILESNC(=O)Cc1nccc2cc(F)c(F)c(F)c12
InChIInChI=1S/C11H7F3N2O/c12-6-3-5-1-2-16-7(4-8(15)17)9(5)11(14)10(6)13/h1-3H,4H2,(H2,15,17)
InChIKeyBKPGWGBPIMOPAS-UHFFFAOYSA-N
MW240.18 g/mol
LogP1.68
Rot. Bonds2

About 2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide

2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide (PubChem CID 82575289) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide.

Molecular Properties

Compound Name2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide
PubChem CID82575289
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide
SMILESNC(=O)Cc1nccc2cc(F)c(F)c(F)c12
InChIInChI=1S/C11H7F3N2O/c12-6-3-5-1-2-16-7(4-8(15)17)9(5)11(14)10(6)13/h1-3H,4H2,(H2,15,17)
InChIKeyBKPGWGBPIMOPAS-UHFFFAOYSA-N
XLogP1.68
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(6-methylisoquinolin-1-yl)acetamide
CID 82575262
2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid
CID 130970296
ethyl 2-(3-fluoro-4-methyl-2-pyridinyl)acetate
CID 133096616
2-[4-fluoro-2-hydroxy-5-(2,3,4,5-tetrafluorophenyl)phenyl]acetamide
CID 175845387
2-(1H-pyrrolo[3,2-c]pyridin-4-yl)acetamide
CID 89240037
2-(1H-imidazo[4,5-c]pyridin-4-yl)acetamide
CID 140604998
2-(3-methyl-2H-pyrrolo[3,4-c]pyridin-4-yl)acetic acid
CID 82404170
7-fluoroisoquinoline-1-carboxamide
CID 82573928
1-(5,6,7-trifluoroisoquinolin-1-yl)ethanone
CID 82576140
ethyl (E)-3-(6,8-difluoroisoquinolin-1-yl)prop-2-enoate
CID 82579909
1-(3-fluoro-2-pyridinyl)propan-2-one
CID 63198717
2-(2,5-difluorophenyl)acetamide
CID 21245498

Frequently Asked Questions

What is the IUPAC name of 2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide?
The IUPAC name of 2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide (CID 82575289) is 2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide.
What is the SMILES notation for 2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide?
The canonical SMILES for 2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide is NC(=O)Cc1nccc2cc(F)c(F)c(F)c12.
What is the InChIKey of 2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide?
The InChIKey is BKPGWGBPIMOPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-6-3-5-1-2-16-7(4-8(15)17)9(5)11(14)10(6)13/h1-3H,4H2,(H2,15,17).
What are the key properties of 2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide?
2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide has a molecular weight of 240.18 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide is sourced from PubChem (CID 82575289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).