Methyl 2-bromopyridine-3-carboxylate - CAS 52718-95-3
Catalog: |
BB027917 |
Product Name: |
Methyl 2-bromopyridine-3-carboxylate |
CAS: |
52718-95-3 |
Synonyms: |
methyl 2-bromopyridine-3-carboxylate |
IUPAC Name: | methyl 2-bromopyridine-3-carboxylate |
Description: | Methyl 2-bromopyridine-3-carboxylate (CAS# 52718-95-3) is a useful research chemical. |
Molecular Weight: | 216.03 |
Molecular Formula: | C7H6BrNO2 |
Canonical SMILES: | COC(=O)C1=C(N=CC=C1)Br |
InChI: | InChI=1S/C7H6BrNO2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3 |
InChI Key: | RAFFKXWNTXTTFO-UHFFFAOYSA-N |
Boiling Point: | 255.3 °C at 760 mmHg |
Purity: | 96 % |
Density: | 1.579 g/cm3 |
Appearance: | White to tan powder or crystals |
MDL: | MFCD07367915 |
LogP: | 1.63070 |
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 |
KR-102293986-B1 | Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containg the same as an active ingredient | 20191030 |
KR-20210052330-A | Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containg the same as an active ingredient | 20191030 |
WO-2021086077-A1 | Isoquinolinone derivative, preparation method therefor, and pharmaceutical composition, comprising same as active ingredient, for prevention or treatment of poly(adp-ribose)polymerase-1 (parp-1)-associated disease | 20191030 |
WO-2020243459-A1 | Thiadiazolyl derivatives as dna polymerase theta inhibitors | 20190531 |
US-2020168817-A1 | Organometallic compound and organic light-emitting device including the same | 20181123 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.95819 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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