3-Fluoro-2-(hydroxymethyl)pyridine - CAS 31181-79-0

Catalog:	BB020823
Product Name:	3-Fluoro-2-(hydroxymethyl)pyridine
CAS:	31181-79-0
Synonyms:	(3-fluoro-2-pyridinyl)methanol; (3-fluoropyridin-2-yl)methanol

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Computed Properties

IUPAC Name:	(3-fluoropyridin-2-yl)methanol
Description:	3-Fluoro-2-(hydroxymethyl)pyridine (CAS# 31181-79-0) is a useful research chemical.
Molecular Weight:	127.12
Molecular Formula:	C6H6FNO
Canonical SMILES:	C1=CC(=C(N=C1)CO)F
InChI:	InChI=1S/C6H6FNO/c7-5-2-1-3-8-6(5)4-9/h1-3,9H,4H2
InChI Key:	FKTCIWBKNWUDAX-UHFFFAOYSA-N
Boiling Point:	194.287 °C at 760 mmHg
Density:	1.263 g/cm³
MDL:	MFCD09025826
LogP:	0.71300

Publication Number	Title	Priority Date
US-2021205311-A1	Combination Therapy Comprising A2A/A2B and PD-1/PD-L1 Inhibitors	20200103
US-2021230294-A1	Cd73 inhibitor and a2a/a2b adenosine receptor inhibitor combination therapy	20200103
WO-2021138498-A1	Cd73 inhibitor and a2a/a2b adenosine receptor inhibitor combination therapy	20200103
WO-2021138512-A1	Combination therapy comprising a2a/a2b and pd-1/pd-l1 inhibitors	20200103
CN-111004171-A	Novel synthesis method of 3-fluoropyridine-2-methanol	20191218

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	89.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.043341977
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.043341977
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1