Basic information
- CAS
77168-31-1- Standard SMILES
Cc1cc(Cl)nc(-c2ccccn2)n1- InChIKey
QXTIZJZQBKJJCB-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3
- Average molar mass
- 205.64 g/mol
- Monoisotopic mass
- 205.040675
Names & identifiers
- Preferred name
- 4-Chloro-6-methyl-2-(pyridin-2-yl)pyrimidine
- IUPAC
- 4-chloro-6-methyl-2-pyridin-2-ylpyrimidine
- English name
- 4-Chloro-6-methyl-2-(2-pyridinyl)pyrimidine
- Molecular formula
- C10H8ClN3
- Molecular weight
- 205.64
Names & synonyms
77168-31-14-chloro-6-methyl-2-(pyridin-2-yl)pyrimidineDTXSID40376933RefChem:291879DTXCID00327961816-917-14-chloro-6-methyl-2-(2-pyridinyl)pyrimidine4-chloro-6-methyl-2-pyridin-2-ylpyrimidineMFCD006627864-chloro-6-methyl-2-(2-pyridyl)pyrimidineSCHEMBL5480168QXTIZJZQBKJJCB-UHFFFAOYSA-N
Show more names
4-CHLORO-2-(2-PYRIDYL)-6-METHYL PYRIMIDINEPyrimidine, 4-chloro-6-methyl-2-(2-pyridinyl)-
CDA16831SBB054535AKOS005069625CS-04555746-Chloro-4-methyl-2-(2-pyridinyl)pyrimidineEN300-695354-chloro-6-methyl -2-(2-pyridinyl)pyrimidine6-chloro-4-methyl-2-(pyridin-2-yl)pyrimidine
Database identifiers
- CAS
77168-31-1- PubChem CID
- 2763395
- DTXSID
DTXSID40376933- EC Number
- 816-917-1
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Melting point
- 75 · 75-76°C
- Boiling point
- 250.3 · 250.3±22.0 °C(Predicted)
- Density
- 1.264 · 1.264±0.06 g/cm3(Predicted)
- pka
- 0.41 · 0.41±0.19(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38-22
- Safety Statements
- 26 · 26-36/37/39
- HazardClass
- IRRITANT
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety data
- hs_code
- 2933599590
- risk_code
- 20/21/22-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H335-H319-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers14 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
天津佶品佳化工科技有限公司18622448868 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
济南鑫宏泰化学有限公司13000000000 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Nanjing Bicbiotechnology Co., Ltd+86-2552131256 +86-18251840740 · [email protected]
Related reactions
85 records
Compound notes
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