| CAS Number | 1097323-08-4 |
| Catalog Number | AG00HBL5(AGN-PC-0WD7PV) |
| Chemical Name | (1-Methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol |
| IUPAC Name | (1-methylpyrrolo[2,3-b]pyridin-3-yl)methanol |
| InChI | InChI=1S/C9H10N2O/c1-11-5-7(6-12)8-3-2-4-10-9(8)11/h2-5,12H,6H2,1H3 |
| InChI Key | JDBWCTCREIJODM-UHFFFAOYSA-N |
| MDL Number | MFCD21769727 |
| Molecular Formula | C9H10N2O |
| Molecular Weight | 162.1885 |
| SMILES | CN1C2=C(C=CC=N2)C(CO)=C1 |
| Synonyms | 1097323-08-4,
(1-Methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol,
{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}methanol,
1H-Pyrrolo[2,3-b]pyridine-3-methanol, 1-methyl-,
SCHEMBL13044512,
MFCD21769727,
ZINC85607473,
AKOS015760164,
SB14176,
CS-0035987,
(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanol,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.192g/mol |
| Monoisotopic Mass | 162.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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