2-Bromopyridine-3-carboxylic acid - CAS 35905-85-2
Catalog: |
BB022799 |
Product Name: |
2-Bromopyridine-3-carboxylic acid |
CAS: |
35905-85-2 |
Synonyms: |
2-bromopyridine-3-carboxylic acid |
IUPAC Name: | 2-bromopyridine-3-carboxylic acid |
Description: | 2-Bromopyridine-3-carboxylic acid (CAS# 35905-85-2) is a useful research chemical. |
Molecular Weight: | 202.01 |
Molecular Formula: | C6H4BrNO2 |
Canonical SMILES: | C1=CC(=C(N=C1)Br)C(=O)O |
InChI: | InChI=1S/C6H4BrNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10) |
InChI Key: | MMWNKXIFVYQOTK-UHFFFAOYSA-N |
Boiling Point: | 339.3 °C at 760 mmHg |
Density: | 1.813 g/cm3 |
MDL: | MFCD01646068 |
LogP: | 1.54230 |
GHS Hazard Statement: | H302 (86.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21579893 | 20100130 | 2-Bromo-pyridine-3-carboxylic acid | Acta crystallographica. Section E, Structure reports online |
18241958 | 20080901 | Synthesis of new 3-pyridinecarboxylates of potential vasodilation properties | European journal of medicinal chemistry |
15881816 | 20041201 | Novel nicotinate esters of vasodilatation activity | Bollettino chimico farmaceutico |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.94254 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.94254 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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