3-Pyridinemethanol - CAS 100-55-0

Name: 3-Pyridinemethanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB000258
Product Name:	3-Pyridinemethanol
CAS:	100-55-0
Synonyms:	pyridin-3-ylmethanol
Application:	3-Pyridinemethanol is a widely used in the synthesis of some inhibitors like Chk1 and histone deacetylase inhibitors.

Technical Data

IUPAC Name:	pyridin-3-ylmethanol
Description:	3-Pyridinemethanol, an aromatic alcohol compound, is a widely used in the synthesis of some inhibitors like Chk1 and histone deacetylase inhibitors.
Molecular Weight:	109.13
Molecular Formula:	C6H7NO
Canonical SMILES:	C1=CC(=CN=C1)CO
InChI:	InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2
InChI Key:	MVQVNTPHUGQQHK-UHFFFAOYSA-N
Boiling Point:	266 °C
Melting Point:	-7.7 °C
Purity:	95 %
Density:	1.124 g/cm³
Solubility:	10 mM in DMSO
Appearance:	Clear light yellow to yellow liquid
Storage:	2-8 °C
MDL:	MFCD00006407
LogP:	0.57390
Vapor Pressure:	0.02 [mmHg]

GHS Hazard Statement:	H315 (93.1%): 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

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PMID	Publication Date	Title	Journal
22733314	20120801	Novel heneicosadienoic and tricosadienoic acid isomers in ovaries of marine archaeogastropods	Lipids
20605277	20100901	Copper (II) complexes of the anti-inflammatory drug naproxen and 3-pyridylmethanol as auxiliary ligand. Characterization, superoxide dismutase and catecholase--mimetic activities	European journal of medicinal chemistry
19902438	20100118	Noncovalent synthesis of hierarchical zinc phosphates from a single Zn(4)O(12)P(4) double-four-ring building block: dimensionality control through the choice of auxiliary ligands	Chemistry (Weinheim an der Bergstrasse, Germany)
19853978	20100101	The role of p53 in the cellular toxicity by active trans-platinum complexes containing isopropylamine and hydroxymethylpyridine	European journal of medicinal chemistry
20634987	20100101	Synthesis and Structural Characterization of a Metal Cluster and a Coordination Polymer Based on the [Mn(6)(mu(4)-O)(2)] Unit	Bioinorganic chemistry and applications

Complexity:	65.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.052763847
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	109.052763847
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0