Basic information
- CAS
1345091-18-0- Standard SMILES
O=c1ccc2cnc(Cl)cc2[nH]1- InChIKey
MSOIXGILAIBKIU-UHFFFAOYSA-N- Molecular formula
- C8H5ClN2O
- Average molar mass
- 180.59 g/mol
Names & identifiers
- Preferred name
- 7-Chloro-1,6-naphthyridin-2(1H)-one
- IUPAC
- 7-chloro-1H-1,6-naphthyridin-2-one
- English name
- 7-chloro-1,6-naphthyridin-2(1H)-one
- Molecular formula
- C8H5ClN2O
- Molecular weight
- 180.59
Names & synonyms
7-CHLORO-1,6-NAPHTHYRIDIN-2(1H)-ONE1345091-18-0MFCD225480487-chloro-1H-1,6-naphthyridin-2-one7-chloro-1,2-dihydro-1,6-naphthyridin-2-oneSCHEMBL23166179SCHEMBL24667082AB85048AT29878SY267403EN300-14615517-CHLORO-1,6-NAPHTHYRIDIN-2-OL
Show more names
7-Chloro-1,6-naphthyridin-2(1H)-on1,6-Naphthyridin-2(1H)-one, 7-chloro-
CS-46126DB-197397F849193
Database identifiers
- CAS
1345091-18-0
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 404.7 · 404.7±45.0 °C(Predicted)
- Density
- 1.419 · 1.419±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 10.23 · 10.23±0.20(Predicted)
- Appearance
- Light yellow to brown Solid
- InChI
- InChI=1S/C8H5ClN2O/c9-7-3-6-5(4-10-7)1-2-8(12)11-6/h1-4H,(H,11,12)
- InChIKey
- MSOIXGILAIBKIU-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=NC(Cl)=C2)C=CC1=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers30 total
宁波振岳医药科技有限公司19817745290 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
重庆福腾医药有限公司18696571988 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
南京宏望医药科技有限公司15366073145 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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