| CAS Number | 1260666-55-4 |
| Catalog Number | AG000R08(AGN-PC-0WCKPW) |
| Chemical Name | methyl 7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate |
| IUPAC Name | methyl 7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate |
| InChI | InChI=1S/C8H7N3O2/c1-13-8(12)6-2-5-3-9-4-10-7(5)11-6/h2-4H,1H3,(H,9,10,11) |
| InChI Key | MPZMZNBDKQBVIV-UHFFFAOYSA-N |
| MDL Number | MFCD18250579 |
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.1601 |
| SMILES | COC(C1NC2=C(C=NC=N2)C=1)=O |
| Synonyms | METHYL 7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLATE,
1260666-55-4,
SCHEMBL18969568,
7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID, METHYL ESTER,
ZINC89223767,
FCH1148018,
PB28736,
AX8310860,
CS-0054633,
Q-3166,
7h-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid methyl ester,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.053826g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.16g/mol |
| Monoisotopic Mass | 177.053826g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H317
|
|
Packing Group
|
|
|
Precautionary statements
|
P280
|
|
UN Code
|
|
Certificate of Analysis
Lot Number