2,6-Dichloro-5-fluoronicotinamide - CAS 113237-20-0

Name: 2,6-Dichloro-5-fluoronicotinamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003145
Product Name:	2,6-Dichloro-5-fluoronicotinamide
CAS:	113237-20-0
Synonyms:	2,6-dichloro-5-fluoro-3-pyridinecarboxamide; 2,6-dichloro-5-fluoropyridine-3-carboxamide

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,6-dichloro-5-fluoropyridine-3-carboxamide
Description:	2,6-Dichloro-5-fluoronicotinamide (CAS# 113237-20-0) is a useful research chemical.
Molecular Weight:	209.01
Molecular Formula:	C6H3Cl2FN2O
Canonical SMILES:	C1=C(C(=NC(=C1F)Cl)Cl)C(=O)N
InChI:	InChI=1S/C6H3Cl2FN2O/c7-4-2(6(10)12)1-3(9)5(8)11-4/h1H,(H2,10,12)
InChI Key:	ZVYNUGSPFZCYEV-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD01571365
LogP:	2.32670

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112574199-A	Heterocyclic compounds as Kras-G12C inhibitors	20200520
CN-112574199-B	Heterocyclic compounds as Kras-G12C inhibitors	20200520
US-2021300920-A1	KRAS Mutant Protein Inhibitors	20200317
WO-2021185233-A1	Kras mutant protein inhibitors	20200317
WO-2021175199-A1	Aromatic heterocyclic compound and application thereof in drug	20200302

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.9606463
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.9606463
Rotatable Bond Count:	1
Topological Polar Surface Area:	56 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8