2,4-dichloro-4aH-1,6-naphthyridin-5-one

C8H4Cl2N2O — CID 178188823

IUPAC2,4-dichloro-4aH-1,6-naphthyridin-5-one
SMILESO=C1N=CC=C2N=C(Cl)C=C(Cl)C12
InChIInChI=1S/C8H4Cl2N2O/c9-4-3-6(10)12-5-1-2-11-8(13)7(4)5/h1-3,7H
InChIKeyNIEKLQDSXDUMNF-UHFFFAOYSA-N
MW215.04 g/mol
LogP1.87
Rot. Bonds

About 2,4-dichloro-4aH-1,6-naphthyridin-5-one

2,4-dichloro-4aH-1,6-naphthyridin-5-one (PubChem CID 178188823) has the molecular formula C8H4Cl2N2O and a molecular weight of 215.04 g/mol. Its IUPAC name is 2,4-dichloro-4aH-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2,4-dichloro-4aH-1,6-naphthyridin-5-one
PubChem CID178188823
Molecular FormulaC8H4Cl2N2O
Molecular Weight215.04 g/mol
Exact Mass213.97
IUPAC Name2,4-dichloro-4aH-1,6-naphthyridin-5-one
SMILESO=C1N=CC=C2N=C(Cl)C=C(Cl)C12
InChIInChI=1S/C8H4Cl2N2O/c9-4-3-6(10)12-5-1-2-11-8(13)7(4)5/h1-3,7H
InChIKeyNIEKLQDSXDUMNF-UHFFFAOYSA-N
XLogP1.87
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-4aH-1,6-naphthyridin-5-one?
The IUPAC name of 2,4-dichloro-4aH-1,6-naphthyridin-5-one (CID 178188823) is 2,4-dichloro-4aH-1,6-naphthyridin-5-one.
What is the SMILES notation for 2,4-dichloro-4aH-1,6-naphthyridin-5-one?
The canonical SMILES for 2,4-dichloro-4aH-1,6-naphthyridin-5-one is O=C1N=CC=C2N=C(Cl)C=C(Cl)C12.
What is the InChIKey of 2,4-dichloro-4aH-1,6-naphthyridin-5-one?
The InChIKey is NIEKLQDSXDUMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O/c9-4-3-6(10)12-5-1-2-11-8(13)7(4)5/h1-3,7H.
What are the key properties of 2,4-dichloro-4aH-1,6-naphthyridin-5-one?
2,4-dichloro-4aH-1,6-naphthyridin-5-one has a molecular weight of 215.04 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-4aH-1,6-naphthyridin-5-one is sourced from PubChem (CID 178188823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).