Methyl 2,4-Dichloronicotinate - CAS 442903-28-8
Catalog: |
BB025560 |
Product Name: |
Methyl 2,4-Dichloronicotinate |
CAS: |
442903-28-8 |
Synonyms: |
2,4-dichloro-3-pyridinecarboxylic acid methyl ester; methyl 2,4-dichloropyridine-3-carboxylate |
IUPAC Name: | methyl 2,4-dichloropyridine-3-carboxylate |
Description: | Methyl 2,4-Dichloronicotinate (CAS# 442903-28-8) is a useful research chemical. |
Molecular Weight: | 206.03 |
Molecular Formula: | C7H5Cl2NO2 |
Canonical SMILES: | COC(=O)C1=C(C=CN=C1Cl)Cl |
InChI: | InChI=1S/C7H5Cl2NO2/c1-12-7(11)5-4(8)2-3-10-6(5)9/h2-3H,1H3 |
InChI Key: | IBZIEMCFERTPNR-UHFFFAOYSA-N |
MDL: | MFCD11100222 |
LogP: | 2.17500 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2019330181-A1 | Hemoglobin modifier compounds and uses thereof | 20160617 |
WO-2017218960-A1 | Hemoglobin modifier compounds and uses thereof | 20160617 |
US-10787430-B2 | Hemoglobin modifier compounds and uses thereof | 20160617 |
CA-2937529-A1 | Aryl lactam kinase inhibitors | 20140129 |
CN-106132414-A | Aryl lactams inhibitors of kinases | 20140129 |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.9697338 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.9697338 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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