2-Hydroxy-5-sulfonicotinic Acid - CAS 334708-05-3

Catalog:	BB021730
Product Name:	2-Hydroxy-5-sulfonicotinic Acid
CAS:	334708-05-3
Synonyms:	2-oxo-5-sulfo-1H-pyridine-3-carboxylic acid; 2-oxo-5-sulfo-1H-pyridine-3-carboxylic acid

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Computed Properties

IUPAC Name:	2-oxo-5-sulfo-1H-pyridine-3-carboxylic acid
Description:	2-Hydroxy-5-sulfonicotinic Acid (CAS# 334708-05-3) is a useful research chemical.
Molecular Weight:	219.17
Molecular Formula:	C6H5NO6S
Canonical SMILES:	C1=C(C(=O)NC=C1S(=O)(=O)O)C(=O)O
InChI:	InChI=1S/C6H5NO6S/c8-5-4(6(9)10)1-3(2-7-5)14(11,12)13/h1-2H,(H,7,8)(H,9,10)(H,11,12,13)
InChI Key:	ZUWITCSMJULFEU-UHFFFAOYSA-N
MDL:	MFCD04973724
LogP:	0.81290

Publication Number	Title	Priority Date
ES-2712875-T3	Heterocyclic compounds useful as inhibitors of PDK1	20091006
TW-201124416-A	Heterocyclic compounds useful as PDK1 inhibitors	20091006
TW-I525093-B	Heterocyclic compounds used as inhibitors of 3' phosphoinositide-dependent kinase 1 (PDK1)	20091006
US-2008221169-A1	Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance	20061026
US-2011172195-A1	Aquaporin modulators and methods of using them for the treatment of edema and fluid imbalance	20061026

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	451
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.98375805
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	218.98375805
Rotatable Bond Count:	2
Topological Polar Surface Area:	129 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1