2-fluoro-3-(hydroxymethyl)isoquinolin-1-one

C10H8FNO2 — CID 178029693

IUPAC2-fluoro-3-(hydroxymethyl)isoquinolin-1-one
SMILESO=c1c2ccccc2cc(CO)n1F
InChIInChI=1S/C10H8FNO2/c11-12-8(6-13)5-7-3-1-2-4-9(7)10(12)14/h1-5,13H,6H2
InChIKeyYSTRMXQLAYPAPN-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.23
Rot. Bonds1

About 2-fluoro-3-(hydroxymethyl)isoquinolin-1-one

2-fluoro-3-(hydroxymethyl)isoquinolin-1-one (PubChem CID 178029693) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-fluoro-3-(hydroxymethyl)isoquinolin-1-one.

Molecular Properties

Compound Name2-fluoro-3-(hydroxymethyl)isoquinolin-1-one
PubChem CID178029693
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name2-fluoro-3-(hydroxymethyl)isoquinolin-1-one
SMILESO=c1c2ccccc2cc(CO)n1F
InChIInChI=1S/C10H8FNO2/c11-12-8(6-13)5-7-3-1-2-4-9(7)10(12)14/h1-5,13H,6H2
InChIKeyYSTRMXQLAYPAPN-UHFFFAOYSA-N
XLogP1.23
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Oxo-1,2-dihydroisoquinoline-3-carboxylic acid
CID 280001
3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo-
CID 2446736
2-Hydroxy-3-methylisocarbostyril
CID 600218
3-Butyl-5-fluoro-2-methoxyisoquinolin-1-one
CID 134913263
6-Fluoro-2-methoxy-3-methylisoquinolin-1-one
CID 178250775
7-Fluoro-2-methoxy-3-methylisoquinolin-1-one
CID 178250776
3-Butyl-2-methoxyisoquinolin-1-one
CID 15656235
2-Hydroxy-1-oxoisoquinoline-3-carboxylic acid
CID 12765501
3-Ethyl-2-methoxyisoquinolin-1-one
CID 70038909
2-Hydroxy-3-propan-2-ylisoquinolin-1-one
CID 70833210
2-Methoxy-3-methylisoquinolin-1-one
CID 125486893
4-(4-Fluorophenyl)-3-hydroxymethyl-2-isopropyl-1-oxo-1,2-dihydroisoquinoline
CID 20063372

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(hydroxymethyl)isoquinolin-1-one?
The IUPAC name of 2-fluoro-3-(hydroxymethyl)isoquinolin-1-one (CID 178029693) is 2-fluoro-3-(hydroxymethyl)isoquinolin-1-one.
What is the SMILES notation for 2-fluoro-3-(hydroxymethyl)isoquinolin-1-one?
The canonical SMILES for 2-fluoro-3-(hydroxymethyl)isoquinolin-1-one is O=c1c2ccccc2cc(CO)n1F.
What is the InChIKey of 2-fluoro-3-(hydroxymethyl)isoquinolin-1-one?
The InChIKey is YSTRMXQLAYPAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c11-12-8(6-13)5-7-3-1-2-4-9(7)10(12)14/h1-5,13H,6H2.
What are the key properties of 2-fluoro-3-(hydroxymethyl)isoquinolin-1-one?
2-fluoro-3-(hydroxymethyl)isoquinolin-1-one has a molecular weight of 193.18 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(hydroxymethyl)isoquinolin-1-one is sourced from PubChem (CID 178029693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).