Basic information
- CAS
1158560-99-6- Standard SMILES
N#CC1(c2ccc(NC(=O)c3cccnc3Cl)cc2)CCCC1- InChIKey
NNVQLPWHPGZQRG-UHFFFAOYSA-N- Molecular formula
- C18H16ClN3O
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.0981898
Names & identifiers
- Preferred name
- 2-chloro-N-(4-(1-cyanocyclopentyl)phenyl)nicotinamide
- IUPAC
- 2-chloro-N-[4-(1-cyanocyclopentyl)phenyl]pyridine-3-carboxamide
- English name
- 3-PyridinecarboxaMide, 2-chloro-N-[4-(1-cyanocyclopentyl)phenyl]
- Molecular formula
- C18H16ClN3O
- Molecular weight
- 325.79
Names & synonyms
1158560-99-62-Chloro-N-(4-(1-cyanocyclopentyl)phenyl)nicotinamideRefChem:470144879-119-22-Chloro-N-[4-(1-cyanocyclopentyl)phenyl]-3-pyridinecarboxamide2-chloro-N-[4-(1-cyanocyclopentyl)phenyl]pyridine-3-carboxamide3-PyridinecarboxaMide, 2-chloro-N-[4-(1-cyanocyclopentyl)phenyl]2-Chloro-N-[4-(1-cyanocyclopentyl)phenyl]-3-pyridinecarboxamide (ACI)MK5UQW7UXPSCHEMBL28384594MFCD13973599LS-14626
Show more names
2-Chloro-N-[4-(1-cyanocyclopentyl)phenyl]pyridin-3-carboxamide2-chloro-N-[4-(1-cyanocyclopentyl)phenyl]-3-Pyridinecarboxam...
DB-303309F538183-Pyridinecarboxamide, 2-chloro-N-[4-(1-cyanocyclopentyl)phenyl]-
Database identifiers
- CAS
1158560-99-6- PubChem CID
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 472
Physicochemical properties
- Melting point
- 155 · 155-157°C
- Boiling point
- 459.7 · 459.7±45.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 11 · 11.00±0.70(Predicted)
- form
- Solid
- color
- Pale Yellow
- Symbol(GHS)
- 9 · GHS09
- Hazard statements
- 411 · H411
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Safety data
- Symbol(GHS)
- GHS09
- Hazard statements
- H411
Chemistry & industry
Applications
Uses2-Chloro-N-[4-(1-cyanocyclopentyl)phenyl]-3-pyridinecarboxamide is an intermediate Apatinib 25-N-Oxide (A726160), a metabolite of the antiangiogenic agent and selective VEGFR2 inhibitor Apatinib (A726150).
Suppliers23 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
无锡惠飞生物医药技术有限公司0510-0510-83593305 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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