6-Chloro-4-(trifluoromethyl)nicotinic acid - CAS 261635-77-2

Name: 6-Chloro-4-(trifluoromethyl)nicotinic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019158
Product Name:	6-Chloro-4-(trifluoromethyl)nicotinic acid
CAS:	261635-77-2
Synonyms:	6-chloro-4-(trifluoromethyl)-3-pyridinecarboxylic acid; 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid

Technical Data

IUPAC Name:	6-chloro-4-(trifluoromethyl)pyridine-3-carboxylic acid
Description:	6-Chloro-4-(trifluoromethyl)nicotinic acid (CAS# 261635-77-2) is a building blocked used in organic synthesis such as the preparation of N-aryl heteroarylcarboxamides as inhibitors of WDR5 protein-protein binding.
Molecular Weight:	225.55
Molecular Formula:	C7H3ClF3NO2
Canonical SMILES:	C1=C(C(=CN=C1Cl)C(=O)O)C(F)(F)F
InChI:	InChI=1S/C7H3ClF3NO2/c8-5-1-4(7(9,10)11)3(2-12-5)6(13)14/h1-2H,(H,13,14)
InChI Key:	BULUOEXUXOKCIG-UHFFFAOYSA-N
Boiling Point:	309.9 °C at 760 mmHg
Density:	1.603 g/cm³
MDL:	MFCD06800446
LogP:	2.45200

GHS Hazard Statement:	H301 (90.48%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113480477-A	Preparation process of 4-trifluoromethyl nicotinic acid	20210708
US-2020048242-A1	Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases	20180809
US-11053235-B2	Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases	20180809
WO-2020001448-A1	Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases	20180626
AU-2019296117-A1	Dihydropyrimidine derivatives and uses thereof in the treatment of HBV infection or of HBV-induced diseases	20180626

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.9804405
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	224.9804405
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2