8-chloro-2,3-dihydro-1H-1,5-naphthyridin-4-one

C8H7ClN2O — CID 135253791

IUPAC8-chloro-2,3-dihydro-1H-1,5-naphthyridin-4-one
SMILESO=C1CCNc2c(Cl)ccnc21
InChIInChI=1S/C8H7ClN2O/c9-5-1-3-11-8-6(12)2-4-10-7(5)8/h1,3,10H,2,4H2
InChIKeyAHYIIUDMNHIJQL-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.73
Rot. Bonds

About 8-chloro-2,3-dihydro-1H-1,5-naphthyridin-4-one

8-chloro-2,3-dihydro-1H-1,5-naphthyridin-4-one (PubChem CID 135253791) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 8-chloro-2,3-dihydro-1H-1,5-naphthyridin-4-one.

Molecular Properties

Compound Name8-chloro-2,3-dihydro-1H-1,5-naphthyridin-4-one
PubChem CID135253791
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name8-chloro-2,3-dihydro-1H-1,5-naphthyridin-4-one
SMILESO=C1CCNc2c(Cl)ccnc21
InChIInChI=1S/C8H7ClN2O/c9-5-1-3-11-8-6(12)2-4-10-7(5)8/h1,3,10H,2,4H2
InChIKeyAHYIIUDMNHIJQL-UHFFFAOYSA-N
XLogP1.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2,3-dihydro-1H-1,5-naphthyridin-4-one?
The IUPAC name of 8-chloro-2,3-dihydro-1H-1,5-naphthyridin-4-one (CID 135253791) is 8-chloro-2,3-dihydro-1H-1,5-naphthyridin-4-one.
What is the SMILES notation for 8-chloro-2,3-dihydro-1H-1,5-naphthyridin-4-one?
The canonical SMILES for 8-chloro-2,3-dihydro-1H-1,5-naphthyridin-4-one is O=C1CCNc2c(Cl)ccnc21.
What is the InChIKey of 8-chloro-2,3-dihydro-1H-1,5-naphthyridin-4-one?
The InChIKey is AHYIIUDMNHIJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c9-5-1-3-11-8-6(12)2-4-10-7(5)8/h1,3,10H,2,4H2.
What are the key properties of 8-chloro-2,3-dihydro-1H-1,5-naphthyridin-4-one?
8-chloro-2,3-dihydro-1H-1,5-naphthyridin-4-one has a molecular weight of 182.61 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2,3-dihydro-1H-1,5-naphthyridin-4-one is sourced from PubChem (CID 135253791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).