2,4-Dichloronicotinic acid

CAT: 0127-OR11323-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR11323-01Size:1 g

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CAS Number

262423-77-8

Synonyms

2,4-Dichloropyridine-3-carboxylic acid, 3-Carboxy-2,4-dichloropyridine

MDL Number

MFCD06796292

Purity

95%

Smiles

OC(=O)c1c(Cl)ccnc1Cl

Storage Conditions

Store at -20°C

Chemical Information

2,4-Dichloronicotinic Acid

CAS Number	262423-77-8
PubChem CID	10583887
IUPAC Name	2,4-dichloropyridine-3-carboxylic acid
Molecular Formula	C6H3Cl2NO2
Molecular Weight	192.00
XLogP	2
Topological Polar Surface Area	50.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	165

SMILES

C1=CN=C(C(=C1Cl)C(=O)O)Cl

InChI

InChI=1S/C6H3Cl2NO2/c7-3-1-2-9-5(8)4(3)6(10)11/h1-2H,(H,10,11)

InChIKey

ZFGZNVSNOJPGDV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 262423-77-8

CID: 10583887

Formula: C6H3Cl2NO2

MW: 192.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.00
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	190.9540837
Monoisotopic Mass	190.9540837
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	165
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
OR12186-01	4,6-Dichloronicotinic acid
OR86205-01	2-Amino-4,6-dichloronicotinic acid
OR8270-01	4,5-Dichloronicotinic acid
OR1005064	4-Amino-2,6-dichloronicotinic acid
OR1907-01	2,6-Dichloronicotinic acid
OR3876-01	2,5-Dichloronicotinic acid
OR1005155	4- ((Tert-butoxycarbonyl) amino) -2,6-dichloronicotinic acid
OR525672-01	5-Bromo-4,6-dichloronicotinic acid
OR1090682-01	5-bromo-2,6-dichloronicotinic acid
OR1909	5,6-Dichloronicotinic acid

Catalog	Name
RG-A261610-01	2,4-Dichloronicotinic Acid
73027-79-9	4,6-Dichloronicotinic acid
TRC-A632568-1G	4-Amino-2,6-dichloronicotinic Acid
Fr12733	2,6-Dichloronicotinic acid
sc-308879	2,5-Dichloronicotinic acid
RG-E140903-01	4- ((tert-butoxycarbonyl) amino) -2,6-dichloronicotinic acid
RG-D090344-01	5,6-Dichloronicotinic Acid
AQ A3 0014-01	2,2,4,4-tetramethylpentanedioic acid
465499-01	S-4,4-Difluoropyrrolidine-2-carboxylic acid 2,2,2-trifluoroacetic acid