2- (Benzyloxy) isonicotinic acid

CAT: 0926-STA23625-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-STA23625-01Size:250 mg

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CAS Number

467236-25-5

MDL Number

MFCD11100038

Smiles

C1=CC=C (C=C1) COC2=NC=CC (=C2) C (=O) O

Molecular Formula

C13H11NO3

Molecular Weight

229.23 g/mol

Controlled

Chemical Information

2-(Benzyloxy)pyridine-4-carboxylic acid

CAS Number	467236-25-5
PubChem CID	22926272
IUPAC Name	2-phenylmethoxypyridine-4-carboxylic acid
Molecular Formula	C13H11NO3
Molecular Weight	229.23
XLogP	2.2
Topological Polar Surface Area	59.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	251

SMILES

C1=CC=C(C=C1)COC2=NC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H11NO3/c15-13(16)11-6-7-14-12(8-11)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16)

InChIKey

JIVIAPHYBVSLIP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 467236-25-5

CID: 22926272

Formula: C13H11NO3

MW: 229.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.23
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	229.07389321
Monoisotopic Mass	229.07389321
Topological Polar Surface Area	59.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	251
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FI37886	Isonicotinic acid
LYB58151-01	2- (Difluoromethoxy) isonicotinic acid
UQB35319	2- (Cyclohexyloxy) isonicotinic acid
LDA64958-01	2- (Ethylamino) isonicotinic acid
GAC81814-01	2- (Difluoromethyl) Isonicotinic Acid
UQB12719-01	2- (Cyclopentylamino) isonicotinic acid
WYB17198-01	2- (Trifluoromethoxy) isonicotinic acid
BKB71753-01	2-Methylamino-isonicotinic acid
ECA22195	2-Acetylamino-isonicotinic acid
LTB37995-01	2- (2-Furyl) isonicotinic acid

Catalog	Name
OR305593	2- (Benzyloxy) isonicotinic acid
OR78768-01	2- (((Benzyloxy) carbonyl) amino) isonicotinic acid
OR1082172-01	2,6-bis (benzyloxy) isonicotinic acid
280701-01	Isonicotinic acid