| CAS Number | 1350643-69-4 |
| Catalog Number | AG00HTVD(AGN-PC-0WNRLE) |
| Chemical Name | 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide |
| IUPAC Name | 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide |
| InChI | InChI=1S/C7H5ClN4O/c8-5-4-3(6(9)13)1-10-7(4)12-2-11-5/h1-2H,(H2,9,13)(H,10,11,12) |
| InChI Key | UDUGGOYXXDQLEP-UHFFFAOYSA-N |
| MDL Number | MFCD24567240 |
| Molecular Formula | C7H5ClN4O |
| Molecular Weight | 196.5938 |
| SMILES | NC(C1C2=C(N=CN=C2Cl)NC=1)=O |
| Synonyms | 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide,
1350643-69-4,
SCHEMBL157260,
DTXSID30731633,
UDUGGOYXXDQLEP-UHFFFAOYSA-N,
ZINC95884084,
AKOS022176379,
AJ-135271,
CS-0055061,
7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-chloro-,
Z1982490416,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.594g/mol |
| Monoisotopic Mass | 196.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number