Basic information
- CAS
1199556-78-9- Standard SMILES
O=c1[nH]c2ccc(Cl)nc2cc1-c1ccccc1- InChIKey
GNCGKMPJUFFJRQ-UHFFFAOYSA-N- Molecular formula
- C14H9ClN2O
- Average molar mass
- 256.68 g/mol
- Monoisotopic mass
- 256.04034059
Names & identifiers
- Preferred name
- 6-Chloro-3-phenyl-1,5-naphthyridin-2(1H)-one
- IUPAC
- 6-chloro-3-phenyl-1H-1,5-naphthyridin-2-one
- English name
- 6-chloro-3-phenyl-1,5-naphthyridin-2(1H)-one
- Molecular formula
- C14H9ClN2O
- Molecular weight
- 256.69
Names & synonyms
6-Chloro-3-phenyl-1,5-naphthyridin-2(1H)-one1199556-78-9DTXSID00735148RefChem:307943DTXCID606858926-chloro-3-phenyl-1H-1,5-naphthyridin-2-oneSCHEMBL1538593GNCGKMPJUFFJRQ-UHFFFAOYSA-NAKOS015969518DB-3594371,5-Naphthyridin-2(1H)-one, 6-chloro-3-phenyl-
Database identifiers
- CAS
1199556-78-9- PubChem CID
- 66524919
- DTXSID
DTXSID00735148
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Boiling point
- 506 · 506.0±50.0 °C(Predicted)
- Density
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.76 · 9.76±0.40(Predicted)
Chemistry & industry
Suppliers3 total
CEG Chemical Science & Technology Co., Ltd.Mobile:13665161512
无锡东禾医药科技有限公司63313187 15358055255 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
3 records
Compound notes
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