Methyl 4-Iodopyrrole-2-carboxylate - CAS 40740-41-8
Catalog: |
BB024644 |
Product Name: |
Methyl 4-Iodopyrrole-2-carboxylate |
CAS: |
40740-41-8 |
Synonyms: |
4-iodo-1H-pyrrole-2-carboxylic acid methyl ester; methyl 4-iodo-1H-pyrrole-2-carboxylate |
IUPAC Name: | methyl 4-iodo-1H-pyrrole-2-carboxylate |
Description: | Methyl 4-Iodopyrrole-2-carboxylate (CAS# 40740-41-8) is a useful research chemical. |
Molecular Weight: | 251.02 |
Molecular Formula: | C6H6INO2 |
Canonical SMILES: | COC(=O)C1=CC(=CN1)I |
InChI: | InChI=1S/C6H6INO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3 |
InChI Key: | KRNGDJYQOKCQCD-UHFFFAOYSA-N |
Boiling Point: | 334.292 °C at 760 mmHg |
Density: | 1.965 g/cm3 |
MDL: | MFCD07368824 |
LogP: | 1.40590 |
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-10695334-B2 | Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors | 20180816 |
US-2020054617-A1 | Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors | 20180816 |
WO-2020035540-A1 | Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors | 20180816 |
JP-2020529389-A | Complex aromatic carboxamide derivative as plasma kallikrein inhibitor | 20180816 |
JP-6828191-B2 | Complex aromatic carboxamide derivative as plasma kallikrein inhibitor | 20180816 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.94433 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.94433 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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