| CAS Number | 931985-65-8 |
| Catalog Number | AG00GVGR(AGN-PC-01L6D8) |
| Chemical Name | 5-Methyl-1-(3-pyridinyl)-1H-pyrrole-2-carbaldehyde |
| IUPAC Name | 5-methyl-1-pyridin-3-ylpyrrole-2-carbaldehyde |
| InChI | InChI=1S/C11H10N2O/c1-9-4-5-11(8-14)13(9)10-3-2-6-12-7-10/h2-8H,1H3 |
| InChI Key | BKCNYESURGGJKM-UHFFFAOYSA-N |
| MDL Number | MFCD09674953 |
| Molecular Formula | C11H10N2O |
| Molecular Weight | 186.2099 |
| SMILES | N1(C2C=CC=NC=2)C(C)=CC=C1C=O |
| Synonyms | 931985-65-8,
5-METHYL-1-(3-PYRIDINYL)-1H-PYRROLE-2-CARBALDEHYDE,
5-Methyl-1-(pyridin-3-yl)-1H-pyrrole-2-carbaldehyde,
CTK5H2185,
DTXSID50589890,
ZINC9261681,
ZX-CM007200,
5878AH,
FCH868915,
MFCD09674953,
STL412398,
AKOS000111894,
MCULE-6818918767,
AJ-59459,
Y-5303,
5-methyl-1-(3-pyridinyl)-1H-pyrrole-2-carbaldehyde(SALTDATA,
C11H10N2O,
5-methyl-1-pyridin-3-ylpyrrole-2-carbaldehyde,
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| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.214g/mol |
| Monoisotopic Mass | 186.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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