(5-fluoro-3-pyridinyl)-isoquinolin-1-ylmethanone

C15H9FN2O — CID 63948426

IUPAC(5-fluoro-3-pyridinyl)-isoquinolin-1-ylmethanone
SMILESO=C(c1cncc(F)c1)c1nccc2ccccc12
InChIInChI=1S/C15H9FN2O/c16-12-7-11(8-17-9-12)15(19)14-13-4-2-1-3-10(13)5-6-18-14/h1-9H
InChIKeyDFOULUXFWJQHLC-UHFFFAOYSA-N
MW252.25 g/mol
LogP3.00
Rot. Bonds2

About (5-fluoro-3-pyridinyl)-isoquinolin-1-ylmethanone

(5-fluoro-3-pyridinyl)-isoquinolin-1-ylmethanone (PubChem CID 63948426) has the molecular formula C15H9FN2O and a molecular weight of 252.25 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-isoquinolin-1-ylmethanone.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-isoquinolin-1-ylmethanone
PubChem CID63948426
Molecular FormulaC15H9FN2O
Molecular Weight252.25 g/mol
Exact Mass252.07
IUPAC Name(5-fluoro-3-pyridinyl)-isoquinolin-1-ylmethanone
SMILESO=C(c1cncc(F)c1)c1nccc2ccccc12
InChIInChI=1S/C15H9FN2O/c16-12-7-11(8-17-9-12)15(19)14-13-4-2-1-3-10(13)5-6-18-14/h1-9H
InChIKeyDFOULUXFWJQHLC-UHFFFAOYSA-N
XLogP3.00
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-isoquinolin-1-ylmethanone?
The IUPAC name of (5-fluoro-3-pyridinyl)-isoquinolin-1-ylmethanone (CID 63948426) is (5-fluoro-3-pyridinyl)-isoquinolin-1-ylmethanone.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-isoquinolin-1-ylmethanone?
The canonical SMILES for (5-fluoro-3-pyridinyl)-isoquinolin-1-ylmethanone is O=C(c1cncc(F)c1)c1nccc2ccccc12.
What is the InChIKey of (5-fluoro-3-pyridinyl)-isoquinolin-1-ylmethanone?
The InChIKey is DFOULUXFWJQHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O/c16-12-7-11(8-17-9-12)15(19)14-13-4-2-1-3-10(13)5-6-18-14/h1-9H.
What are the key properties of (5-fluoro-3-pyridinyl)-isoquinolin-1-ylmethanone?
(5-fluoro-3-pyridinyl)-isoquinolin-1-ylmethanone has a molecular weight of 252.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-isoquinolin-1-ylmethanone is sourced from PubChem (CID 63948426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).