| CAS Number | 1187386-00-0 |
| Catalog Number | AG003HYY(AGN-PC-07XUME) |
| Chemical Name | 4-Iodo-1-(pyridin-3-ylmethyl)pyrazole |
| IUPAC Name | 3-[(4-iodopyrazol-1-yl)methyl]pyridine |
| InChI | InChI=1S/C9H8IN3/c10-9-5-12-13(7-9)6-8-2-1-3-11-4-8/h1-5,7H,6H2 |
| InChI Key | CYDDDZSHUDUZPN-UHFFFAOYSA-N |
| MDL Number | MFCD12756453 |
| Molecular Formula | C9H8IN3 |
| Molecular Weight | 285.0844 |
| SMILES | Ic1cnn(c1)Cc1cccnc1 |
| Synonyms | 1187386-00-0,
3-((4-Iodo-1H-pyrazol-1-yl)methyl)pyridine,
4-IODO-1-(PYRIDIN-3-YLMETHYL)PYRAZOLE,
3-[(4-Iodo-1H-pyrazol-1-yl)methyl]pyridine,
ACMC-2099z5,
SCHEMBL12068737,
CTK4B0849,
DTXSID90675382,
ANW-17199,
MFCD12756453,
ZINC38537883,
AKOS013754524,
AJ-96261,
TR-034267,
ST24022510,
Z7979,
A-5287,
I14-25457,
C9H8IN3,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.088g/mol |
| Monoisotopic Mass | 284.976g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^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
Lot Number