5,6-Diaminonicotinic acid

CAT: 0926-SKA87545-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-SKA87545-01Size:0.5 g

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CAS Number

267875-45-6

MDL Number

MFCD10697694

Smiles

C1=C (C=NC (=C1N) N) C (=O) O

Molecular Formula

C6H7N3O2

Molecular Weight

153.14 g/mol

Controlled

Chemical Information

5,6-Diaminonicotinic acid

CAS Number	267875-45-6
PubChem CID	22476298
IUPAC Name	5,6-diaminopyridine-3-carboxylic acid
Molecular Formula	C6H7N3O2
Molecular Weight	153.14
XLogP	-0.7
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	162

SMILES

C1=C(C=NC(=C1N)N)C(=O)O

InChI

InChI=1S/C6H7N3O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,7H2,(H2,8,9)(H,10,11)

InChIKey

AMUTYVGRCVFCCD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 267875-45-6

CID: 22476298

Formula: C6H7N3O2

MW: 153.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.14
XLogP3	-0.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	153.053826475
Monoisotopic Mass	153.053826475
Topological Polar Surface Area	102 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	162
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
FD57268-01	5,6-Dichloronicotinic acid
FD70014-01	5,6-Dichlorovanillic acid
BDA47034-01	5,6-Dimethoxynicotinic acid
IDA28249-01	5,6-Dimethylpicolinic acid
WGA55783-01	6,6-Dimethyl-5-oxoheptanoic acid
XPD10702-01	5,5-Difluoro-6-hydroxyhexanoic acid
LUD87953-01	4- (Aminomethyl) -5,5,6,6,6-pentafluorohexanoic acid hydrochloride
RBA66811-01	6-Amino-5-chloronicotinic acid
LSB65022-01	5-Fluoroquinoline-6-carboxylic acid
KEC95372-01	6-Cyano-5-methylnicotinic acid

Catalog	Name
OR85144-01	5,6-Diaminonicotinic acid
PC107697	5,5,6,6,6-Pentafluorohexanoic acid
H998457	Heptanoic-5,5,6,6-d4 Acid
HY-W007398	5,6-Dichloronicotinic acid
HY-132184-01	5,6-Epoxyeicosatrienoic acid
437205-01	5,6-Dimethoxynicotinic acid
437155-01	5,6-Dichloropicolinic acid
GTR19270824-01	5,6-dihydroxytetradecanedioic acid
T2978-37	5 (6) -Tetramethylrhodaminecarboxylic Acid
437207-01	5,6-Dimethoxypicolinic acid