Basic information
- CAS
562086-30-0- Standard SMILES
COC(=O)c1cc(C)nc(-c2cccc(C)n2)c1- InChIKey
ZCWQDYBOFKSIGM-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.10552769
Names & identifiers
- Preferred name
- Methyl 6,6'-dimethyl-[2,2'-bipyridine]-4-carboxylate
- IUPAC
- methyl 2-methyl-6-(6-methyl-2-pyridinyl)pyridine-4-carboxylate
- English name
- 4-methoxycarbonyl-6,6'-dimethyl-2,2'-bipyridine
- Molecular formula
- C14H14N2O2
- Molecular weight
- 242.27
Names & synonyms
562086-30-0methyl 6,6'-dimethyl-[2,2'-bipyridine]-4-carboxylate4-Methoxycarbonyl-6,6'-dimethyl-2,2'-bipyridineMethyl 2-methyl-6-(6-methylpyridin-2-yl)pyridine-4-carboxylateMethyl 66'-dimethyl-[22'-bipyridine]-4-carboxylatemethyl6,6'-dimethyl-[2,2'-bipyridine]-4-carboxylate6,6′-dimethyl-2,2′-bipyridine-4-carboxylic acid methyl estermethyl2-methyl-6-(6-methylpyridin-2-yl)pyridine-4-carboxylate[2,2'-Bipyridine]-4-carboxylic acid, 6,6'-dimethyl-, methyl ester
Database identifiers
- CAS
562086-30-0- PubChem CID
- 11447872
- Nikkaji
- J2.414.765G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Melting point
- 122 · 122-123 °C
- Boiling point
- 363.7 · 363.7±42.0 °C(Predicted)
- Density
- 1.144 · 1.144±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 4.5 · 4.50±0.34(Predicted)
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C14H14N2O2/c1-9-5-4-6-12(15-9)13-8-11(14(17)18-3)7-10(2)16-13/h4-8H,1-3H3
- InChIKey
- ZCWQDYBOFKSIGM-UHFFFAOYSA-N
- SMILES
- C1(C2=NC(C)=CC=C2)=NC(C)=CC(C(OC)=O)=C1
- 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
Suppliers21 total
武汉贺景行生物科技有限公司027-13277920701 13277920701 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
武汉贺景行生物科技有限公司18971200136
武汉逸翮科技有限公司1842-7358864 18427358864 · [email protected]
武汉市罗氏科技发展有限公司19171595131 · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
阿里化学（常州）有限公司19941333411 · [email protected]
沈阳莫德医药科技有限公司024-23982345 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
Wuhan Boye Science And Technology Development Co., Ltd.27-81625225 +8615387090420 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
天津佳一生物科技有限公司13261917876 13261917876 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
湖北丽都新材料科技有限公司19307246857 19307246857 · [email protected]
郑州灵之悦科技有限公司+86-0371-55074660 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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