| CAS Number | 221044-05-9 |
| Catalog Number | AG00BHLD(AGN-PC-0WANN8) |
| Chemical Name | 1-(Pyrimidin-2-yl)-1H-indole |
| IUPAC Name | 1-pyrimidin-2-ylindole |
| InChI | InChI=1S/C12H9N3/c1-2-5-11-10(4-1)6-9-15(11)12-13-7-3-8-14-12/h1-9H |
| InChI Key | CNAQMKUJWYJTRY-UHFFFAOYSA-N |
| MDL Number | MFCD28556906 |
| Molecular Formula | C12H9N3 |
| Molecular Weight | 195.2200 |
| SMILES | n1(c2c(cc1)cccc2)c1ncccn1 |
| Synonyms | 1-(pyrimidin-2-yl)-1H-indole,
221044-05-9,
1-(2-Pyrimidinyl)-1H-indole,
N-(2-pyrimidyl)indole,
N-(2-pyrimidinyl)indole,
SCHEMBL2590108,
MFCD28556906,
AKOS028110092,
ZINC169145171,
CS-0062098,
P2505,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.225g/mol |
| Monoisotopic Mass | 195.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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