Basic information
- CAS
2851437-76-6- Standard SMILES
O=C1NCC2(CC2)c2cnc(Cl)cc21- InChIKey
JRPWAMBYJQNKAR-UHFFFAOYSA-N- Molecular formula
- C10H9ClN2O
- Average molar mass
- 208.64 g/mol
- Monoisotopic mass
- 208.0403406
Names & identifiers
- Preferred name
- 7'-Chloro-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-[2,6]naphthyridin]-1'-one
- IUPAC
- 7-chlorospiro[2,3-dihydro-2,6-naphthyridine-4,1'-cyclopropane]-1-one
- English name
- Spiro[cyclopropane-1,4'(1'H)-[2,6]naphthyridin]-1'-one, 7'-chloro-2',3'-dihydro-
- Molecular formula
- C10H9ClN2O
- Molecular weight
- 208.64
Names & synonyms
7'-Chloro-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-[2,6]naphthyridin]-1'-one2851437-76-6SCHEMBL300392887'-chloro-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-[2,6]naphthyridine]-1'-oneSpiro[cyclopropane-1,4'(1'H)-[2,6]naphthyridin]-1'-one, 7'-chloro-2',3'-dihydro-
Database identifiers
- CAS
2851437-76-6- PubChem CID
- 166064459
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 506.7 · 506.7±50.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 12.62 · 12.62±0.20(Predicted)
- InChI
- InChI=1S/C10H9ClN2O/c11-8-3-6-7(4-12-8)10(1-2-10)5-13-9(6)14/h3-4H,1-2,5H2,(H,13,14)
- InChIKey
- JRPWAMBYJQNKAR-UHFFFAOYSA-N
- SMILES
- C12(C3=C(C(=O)NC1)C=C(Cl)N=C3)CC2
- 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
Suppliers9 total
济南爱思医药科技有限公司0531-67809944 15550032919 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
上海氟帝新材料科技有限公司021-31009277 13761216778 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
誉通医药科技（苏州）有限公司0512-15851462628 15851462628 · [email protected]
成都睿和德医药科技有限公司17381862311 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
南京汉海征程医药科技有限公司15850673134 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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