2-Bromo-5-methylpyridine - CAS 3510-66-5
Catalog: |
BB022472 |
Product Name: |
2-Bromo-5-methylpyridine |
CAS: |
3510-66-5 |
Synonyms: |
2-bromo-5-methylpyridine |
IUPAC Name: | 2-bromo-5-methylpyridine |
Description: | Used for preparation of [[(triazolylmethyl)pyridyl]phenyl]tetrazoles and related compounds as cardiovascular agents. |
Molecular Weight: | 172.02 |
Molecular Formula: | C6H6BrN |
Canonical SMILES: | CC1=CN=C(C=C1)Br |
InChI: | InChI=1S/C6H6BrN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3 |
InChI Key: | YWNJQQNBJQUKME-UHFFFAOYSA-N |
Boiling Point: | 95-96 °C (12.5 mmHg) |
Purity: | 98 % |
Density: | 1.494 g/cm3 |
MDL: | MFCD00209553 |
LogP: | 2.15250 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021123291-A1 | Oga inhibitor compounds | 20191218 |
WO-2021119242-A1 | Replication protein a (rpa)-dna interaction inhibitors | 20191210 |
WO-2021094312-A1 | Pyrrolidine and bicycloheteroaryl containing oga inhibitor compounds | 20191111 |
WO-2021070132-A1 | Bi-aryl dihydroorotate dehydrogenase inhibitors | 20191010 |
WO-2021057882-A1 | Egfr inhibitor, composition and preparation method therefor | 20190926 |
Complexity: | 74.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.96836 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.96836 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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