7-chloro-3-fluoro-1H-1,8-naphthyridin-2-one

C8H4ClFN2O — CID 87129645

IUPAC7-chloro-3-fluoro-1H-1,8-naphthyridin-2-one
SMILESO=c1[nH]c2nc(Cl)ccc2cc1F
InChIInChI=1S/C8H4ClFN2O/c9-6-2-1-4-3-5(10)8(13)12-7(4)11-6/h1-3H,(H,11,12,13)
InChIKeyMVZPTLBLJAKNLH-UHFFFAOYSA-N
MW198.58 g/mol
LogP1.72
Rot. Bonds

About 7-chloro-3-fluoro-1H-1,8-naphthyridin-2-one

7-chloro-3-fluoro-1H-1,8-naphthyridin-2-one (PubChem CID 87129645) has the molecular formula C8H4ClFN2O and a molecular weight of 198.58 g/mol. Its IUPAC name is 7-chloro-3-fluoro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-3-fluoro-1H-1,8-naphthyridin-2-one
PubChem CID87129645
Molecular FormulaC8H4ClFN2O
Molecular Weight198.58 g/mol
Exact Mass198.00
IUPAC Name7-chloro-3-fluoro-1H-1,8-naphthyridin-2-one
SMILESO=c1[nH]c2nc(Cl)ccc2cc1F
InChIInChI=1S/C8H4ClFN2O/c9-6-2-1-4-3-5(10)8(13)12-7(4)11-6/h1-3H,(H,11,12,13)
InChIKeyMVZPTLBLJAKNLH-UHFFFAOYSA-N
XLogP1.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.58
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-fluoro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-chloro-3-fluoro-1H-1,8-naphthyridin-2-one (CID 87129645) is 7-chloro-3-fluoro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-3-fluoro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-chloro-3-fluoro-1H-1,8-naphthyridin-2-one is O=c1[nH]c2nc(Cl)ccc2cc1F.
What is the InChIKey of 7-chloro-3-fluoro-1H-1,8-naphthyridin-2-one?
The InChIKey is MVZPTLBLJAKNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2O/c9-6-2-1-4-3-5(10)8(13)12-7(4)11-6/h1-3H,(H,11,12,13).
What are the key properties of 7-chloro-3-fluoro-1H-1,8-naphthyridin-2-one?
7-chloro-3-fluoro-1H-1,8-naphthyridin-2-one has a molecular weight of 198.58 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-fluoro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 87129645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).