pyrimidine-5-carboxylic acid - CAS 4595-61-3
Catalog: |
BB026034 |
Product Name: |
pyrimidine-5-carboxylic acid |
CAS: |
4595-61-3 |
Synonyms: |
pyrimidine-5-carboxylic acid |
IUPAC Name: | pyrimidine-5-carboxylic acid |
Description: | pyrimidine-5-carboxylic acid (CAS# 4595-61-3) is used in the preparation of heterocyclic compounds as an antiviral agent. |
Molecular Weight: | 124.10 |
Molecular Formula: | C5H4N2O2 |
Canonical SMILES: | C1=C(C=NC=N1)C(=O)O |
InChI: | InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9) |
InChI Key: | IIVUJUOJERNGQX-UHFFFAOYSA-N |
Boiling Point: | 318.7 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.403 g/cm3 |
Appearance: | White to off-white to beige powder |
MDL: | MFCD00856162 |
LogP: | 0.17480 |
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 |
US-2015291632-A1 | Metalloenzyme inhibitor compounds as fungicides | 20140415 |
WO-2015160665-A1 | Metalloenzyme inhibitor compounds as fungicides | 20140415 |
WO-2015157127-A1 | Therapuetic uses of selected pyrimidine compounds with anti-mer tyrosine kinase activity | 20140411 |
US-2015279654-A1 | Treating solution for electronic parts, and process for producing electronic parts | 20140329 |
WO-2015140195-A1 | Novel compounds | 20140320 |
PMID | Publication Date | Title | Journal |
22594255 | 20120501 | Synthesis and anti-inflammatory evaluation of new substituted 1-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole derivatives | Acta poloniae pharmaceutica |
21062027 | 20101206 | Topologies of metal-organic frameworks based on pyrimidine-5-carboxylate and unexpected gas-sorption selectivity for CO(2) | Inorganic chemistry |
19421624 | 20090507 | Synthesis and characterisation of heterometallic molecular triangles using ambidentate linker: self-selection of a single linkage isomer | Dalton transactions (Cambridge, England : 2003) |
17928907 | 20071028 | Dual role of azide in the formation of a 3D coordination polymer containing bridging 5-pyrimidinecarboxylate | Dalton transactions (Cambridge, England : 2003) |
17588745 | 20070901 | Agonist lead identification for the high affinity niacin receptor GPR109a | Bioorganic & medicinal chemistry letters |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.027277375 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.027277375 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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