7-chloro-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione

C10H9ClN2O2 — CID 21073909

IUPAC7-chloro-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione
SMILESCC1(C)C(=O)Nc2nc(Cl)ccc2C1=O
InChIInChI=1S/C10H9ClN2O2/c1-10(2)7(14)5-3-4-6(11)12-8(5)13-9(10)15/h3-4H,1-2H3,(H,12,13,15)
InChIKeyOSFFPIZBRDKSEW-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.90
Rot. Bonds

About 7-chloro-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione

7-chloro-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione (PubChem CID 21073909) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 7-chloro-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione.

Molecular Properties

Compound Name7-chloro-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione
PubChem CID21073909
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name7-chloro-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione
SMILESCC1(C)C(=O)Nc2nc(Cl)ccc2C1=O
InChIInChI=1S/C10H9ClN2O2/c1-10(2)7(14)5-3-4-6(11)12-8(5)13-9(10)15/h3-4H,1-2H3,(H,12,13,15)
InChIKeyOSFFPIZBRDKSEW-UHFFFAOYSA-N
XLogP1.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione?
The IUPAC name of 7-chloro-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione (CID 21073909) is 7-chloro-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione.
What is the SMILES notation for 7-chloro-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione?
The canonical SMILES for 7-chloro-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione is CC1(C)C(=O)Nc2nc(Cl)ccc2C1=O.
What is the InChIKey of 7-chloro-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione?
The InChIKey is OSFFPIZBRDKSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-10(2)7(14)5-3-4-6(11)12-8(5)13-9(10)15/h3-4H,1-2H3,(H,12,13,15).
What are the key properties of 7-chloro-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione?
7-chloro-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione has a molecular weight of 224.65 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,3-dimethyl-1H-1,8-naphthyridine-2,4-dione is sourced from PubChem (CID 21073909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).