4-Fluoropyridine-2-carboxaldehyde - CAS 1060809-18-8

Catalog:	BB001790
Product Name:	4-Fluoropyridine-2-carboxaldehyde
CAS:	1060809-18-8
Synonyms:	4-fluoro-2-pyridinecarboxaldehyde; 4-fluoropyridine-2-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4-fluoropyridine-2-carbaldehyde
Description:	4-Fluoropyridine-2-carboxaldehyde (CAS# 1060809-18-8) is a useful research chemical compound.
Molecular Weight:	125.10
Molecular Formula:	C6H4FNO
Canonical SMILES:	C1=CN=C(C=C1F)C=O
InChI:	InChI=1S/C6H4FNO/c7-5-1-2-8-6(3-5)4-9/h1-4H
InChI Key:	WRKFEQUUQYBTPF-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.03320

Publication Number	Title	Priority Date
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US-9814718-B2	MNK inhibitors and methods related thereto	20140625

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	107
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.027691913
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	125.027691913
Rotatable Bond Count:	1
Topological Polar Surface Area:	30
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7