5-(4-Fluorophenyl)nicotinic Acid - CAS 364064-17-5

Catalog:	BB022963
Product Name:	5-(4-Fluorophenyl)nicotinic Acid
CAS:	364064-17-5
Synonyms:	5-(4-fluorophenyl)-3-pyridinecarboxylic acid; 5-(4-fluorophenyl)pyridine-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-(4-fluorophenyl)pyridine-3-carboxylic acid
Description:	5-(4-Fluorophenyl)nicotinic Acid (CAS# 364064-17-5) is a useful research chemical.
Molecular Weight:	217.20
Molecular Formula:	C12H8FNO2
Canonical SMILES:	C1=CC(=CC=C1C2=CC(=CN=C2)C(=O)O)F
InChI:	InChI=1S/C12H8FNO2/c13-11-3-1-8(2-4-11)9-5-10(12(15)16)7-14-6-9/h1-7H,(H,15,16)
InChI Key:	KISDAKHYANOMTN-UHFFFAOYSA-N
Boiling Point:	415.7 °C at 760 mmHg
Density:	1.318 g/cm³
LogP:	2.58590

Publication Number	Title	Priority Date
CN-105612158-A	Antagonists of somatostatin receptor subtype 5 (sstr5)	20131007
DE-102004028561-A1	Process for the preparation of 5-arylnicotinaldehydes	20040615
WO-2005123682-A1	Method for the production of 5-aryl nicotinaldehydes	20040615
AU-2004232454-A1	Method for the production of nicotinaldehydes	20030424
AU-2004232454-B2	Method for the production of nicotinaldehydes	20030424

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.05390666
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.05390666
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1