2-Methyl-4-pyrimidinecarboxylic acid - CAS 13627-49-1
Catalog: |
BB008322 |
Product Name: |
2-Methyl-4-pyrimidinecarboxylic acid |
CAS: |
13627-49-1 |
Synonyms: |
2-methylpyrimidine-4-carboxylic acid |
IUPAC Name: | 2-methylpyrimidine-4-carboxylic acid |
Description: | 2-Methyl-4-pyrimidinecarboxylic acid (CAS# 13627-49-1) is a useful research chemical. |
Molecular Weight: | 138.12 |
Molecular Formula: | C6H6N2O2 |
Canonical SMILES: | CC1=NC=CC(=N1)C(=O)O |
InChI: | InChI=1S/C6H6N2O2/c1-4-7-3-2-5(8-4)6(9)10/h2-3H,1H3,(H,9,10) |
InChI Key: | CDBDBWCUGHXFTN-UHFFFAOYSA-N |
Boiling Point: | 292.5 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.319 g/cm3 |
Solubility: | Water : Soluble |
MDL: | MFCD09834807 |
LogP: | 0.48320 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127190-A1 | Irak degraders and uses thereof | 20191217 |
WO-2020264499-A1 | Irak degraders and uses thereof | 20190628 |
US-2020361920-A1 | Isoxazole derivatives as fxr agonists and methods of use thereof | 20190513 |
WO-2020198026-A1 | Compounds and uses thereof | 20190322 |
WO-2019183587-A1 | Compounds and uses thereof | 20180323 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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