5-(tert-Butyl)picolinic Acid - CAS 1005785-85-2

Catalog:	BB000267
Product Name:	5-(tert-Butyl)picolinic Acid
CAS:	1005785-85-2
Synonyms:	5-tert-butyl-2-pyridinecarboxylic acid; 5-tert-butylpyridine-2-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	5-tert-butylpyridine-2-carboxylic acid
Description:	5-(tert-Butyl)picolinic Acid (CAS# 1005785-85-2 ) is a useful research chemical.
Molecular Weight:	179.22
Molecular Formula:	C10H13NO2
Canonical SMILES:	CC(C)(C)C1=CN=C(C=C1)C(=O)O
InChI:	InChI=1S/C10H13NO2/c1-10(2,3)7-4-5-8(9(12)13)11-6-7/h4-6H,1-3H3,(H,12,13)
InChI Key:	BWSHOYXWNFLBBR-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.07730

Publication Number	Title	Priority Date
WO-2019099426-A1	Influenza virus inhibitor targeting nucleoprotein	20171117
TW-201808888-A	Modulator of integrated stress pathway	20160505
US-2019002413-A1	Zwitterionic propargyl-linked antifolates useful for treating bacterial infections	20160108
US-10870625-B2	Zwitterionic propargyl-linked antifolates useful for treating bacterial infections	20160108
AU-2015328285-A1	Heteroaryl compounds as BTK inhibitors and uses thereof	20141006

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Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.094628657
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	179.094628657
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4