2-(Hydroxymethyl)-3-nitropyridine - CAS 36625-64-6
Catalog: |
BB023018 |
Product Name: |
2-(Hydroxymethyl)-3-nitropyridine |
CAS: |
36625-64-6 |
Synonyms: |
(3-nitro-2-pyridinyl)methanol; (3-nitropyridin-2-yl)methanol |
IUPAC Name: | (3-nitropyridin-2-yl)methanol |
Description: | 2-(Hydroxymethyl)-3-nitropyridine (CAS# 36625-64-6 ) is a useful research chemical. |
Molecular Weight: | 154.12 |
Molecular Formula: | C6H6N2O3 |
Canonical SMILES: | C1=CC(=C(N=C1)CO)[N+](=O)[O-] |
InChI: | InChI=1S/C6H6N2O3/c9-4-5-6(8(10)11)2-1-3-7-5/h1-3,9H,4H2 |
InChI Key: | NYLVVAOSNPCBJR-UHFFFAOYSA-N |
MDL: | MFCD18802584 |
LogP: | 1.00530 |
Publication Number | Title | Priority Date |
AU-2010261399-A1 | Bicyclic and tricyclic compounds as KAT II inhibitors | 20090618 |
AU-2010261399-B2 | Bicyclic and tricyclic compounds as KAT II inhibitors | 20090618 |
CA-2763960-C | Bicyclic and tricyclic compounds as kat ii inhibitors | 20090618 |
DK-2443092-T3 | Bicyclic and tricyclic compounds as CAT-II inhibitors | 20090618 |
EP-2443092-B1 | Bicyclic and tricyclic compounds as kat ii inhibitors | 20090618 |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.03784206 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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