Methyl 2-Chloro-3-methylpyridine-4-carboxylate - CAS 787596-41-2
Catalog: |
BB036239 |
Product Name: |
Methyl 2-Chloro-3-methylpyridine-4-carboxylate |
CAS: |
787596-41-2 |
Synonyms: |
2-chloro-3-methyl-4-pyridinecarboxylic acid methyl ester; methyl 2-chloro-3-methylpyridine-4-carboxylate |
IUPAC Name: | methyl 2-chloro-3-methylpyridine-4-carboxylate |
Description: | Methyl 2-Chloro-3-methylpyridine-4-carboxylate (CAS# 787596-41-2) is a useful research chemical. |
Molecular Weight: | 185.61 |
Molecular Formula: | C8H8ClNO2 |
Canonical SMILES: | CC1=C(C=CN=C1Cl)C(=O)OC |
InChI: | InChI=1S/C8H8ClNO2/c1-5-6(8(11)12-2)3-4-10-7(5)9/h3-4H,1-2H3 |
InChI Key: | LUWGTKBLQCPEMS-UHFFFAOYSA-N |
Boiling Point: | 266.389 °C at 760 mmHg |
Density: | 1.248 g/cm3 |
MDL: | MFCD08275065 |
LogP: | 1.83000 |
Publication Number | Title | Priority Date |
WO-2021032148-A1 | Aminopyrazine compounds as hpk1 inhibitor and the use thereof | 20190821 |
US-2020172539-A1 | Azalactam Compounds as HPK1 Inhibitors | 20181115 |
WO-2020100027-A1 | 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-one derivatives as hpk1 inhibitors for the treatment of cancer | 20181115 |
TW-202031657-A | Azalactam compounds as hpk1 inhibitors | 20181115 |
CN-113316576-A | 2, 3-dihydro-1H-pyrrolo [3,4-c ] pyridin-1-one derivatives as HPK1 inhibitors for the treatment of cancer | 20181115 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.0243562 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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