7-chloro-6-fluoro-4-oxo-1-propan-2-yl-2,3-dihydro-1,8-naphthyridine-3-carbaldehyde

C12H12ClFN2O2 — CID 155388519

IUPAC7-chloro-6-fluoro-4-oxo-1-propan-2-yl-2,3-dihydro-1,8-naphthyridine-3-carbaldehyde
SMILESCC(C)N1CC(C=O)C(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C12H12ClFN2O2/c1-6(2)16-4-7(5-17)10(18)8-3-9(14)11(13)15-12(8)16/h3,5-7H,4H2,1-2H3
InChIKeyXLYCASCOALLEHR-UHFFFAOYSA-N
MW270.69 g/mol
LogP2.10
Rot. Bonds2

About 7-chloro-6-fluoro-4-oxo-1-propan-2-yl-2,3-dihydro-1,8-naphthyridine-3-carbaldehyde

7-chloro-6-fluoro-4-oxo-1-propan-2-yl-2,3-dihydro-1,8-naphthyridine-3-carbaldehyde (PubChem CID 155388519) has the molecular formula C12H12ClFN2O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is 7-chloro-6-fluoro-4-oxo-1-propan-2-yl-2,3-dihydro-1,8-naphthyridine-3-carbaldehyde.

Molecular Properties

Compound Name7-chloro-6-fluoro-4-oxo-1-propan-2-yl-2,3-dihydro-1,8-naphthyridine-3-carbaldehyde
PubChem CID155388519
Molecular FormulaC12H12ClFN2O2
Molecular Weight270.69 g/mol
Exact Mass270.06
IUPAC Name7-chloro-6-fluoro-4-oxo-1-propan-2-yl-2,3-dihydro-1,8-naphthyridine-3-carbaldehyde
SMILESCC(C)N1CC(C=O)C(=O)c2cc(F)c(Cl)nc21
InChIInChI=1S/C12H12ClFN2O2/c1-6(2)16-4-7(5-17)10(18)8-3-9(14)11(13)15-12(8)16/h3,5-7H,4H2,1-2H3
InChIKeyXLYCASCOALLEHR-UHFFFAOYSA-N
XLogP2.10
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-chloro-6-fluoro-4-oxo-1-propan-2-yl-2,3-dihydro-1,8-naphthyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-4-oxo-1-propan-2-yl-2,3-dihydro-1,8-naphthyridine-3-carbaldehyde?
The IUPAC name of 7-chloro-6-fluoro-4-oxo-1-propan-2-yl-2,3-dihydro-1,8-naphthyridine-3-carbaldehyde (CID 155388519) is 7-chloro-6-fluoro-4-oxo-1-propan-2-yl-2,3-dihydro-1,8-naphthyridine-3-carbaldehyde.
What is the SMILES notation for 7-chloro-6-fluoro-4-oxo-1-propan-2-yl-2,3-dihydro-1,8-naphthyridine-3-carbaldehyde?
The canonical SMILES for 7-chloro-6-fluoro-4-oxo-1-propan-2-yl-2,3-dihydro-1,8-naphthyridine-3-carbaldehyde is CC(C)N1CC(C=O)C(=O)c2cc(F)c(Cl)nc21.
What is the InChIKey of 7-chloro-6-fluoro-4-oxo-1-propan-2-yl-2,3-dihydro-1,8-naphthyridine-3-carbaldehyde?
The InChIKey is XLYCASCOALLEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2/c1-6(2)16-4-7(5-17)10(18)8-3-9(14)11(13)15-12(8)16/h3,5-7H,4H2,1-2H3.
What are the key properties of 7-chloro-6-fluoro-4-oxo-1-propan-2-yl-2,3-dihydro-1,8-naphthyridine-3-carbaldehyde?
7-chloro-6-fluoro-4-oxo-1-propan-2-yl-2,3-dihydro-1,8-naphthyridine-3-carbaldehyde has a molecular weight of 270.69 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-4-oxo-1-propan-2-yl-2,3-dihydro-1,8-naphthyridine-3-carbaldehyde is sourced from PubChem (CID 155388519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).