4,5-Dichloronicotinic acid

CAT: 0127-OR8270-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR8270-01Size:50 mg

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CAS Number

473837-10-4

Synonyms

4,5-Dichloropyridine-3-carboxylic acid, 3-Carboxy-4,5-dichloropyridine, 3,4-Dichloropyridine-5-carboxylic acid

MDL Number

MFCD01861987

Purity

95%

Smiles

OC(=O)c1cncc(Cl)c1Cl

Chemical Information

4,5-dichloropyridine-3-carboxylic Acid

CAS Number	473837-10-4
PubChem CID	2736089
IUPAC Name	4,5-dichloropyridine-3-carboxylic acid
Molecular Formula	C6H3Cl2NO2
Molecular Weight	192.00
XLogP	1.6
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=C(C(=C(C=N1)Cl)Cl)C(=O)O

InChI

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

InChIKey

FLHXJEWJASHMBK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 473837-10-4

CID: 2736089

Formula: C6H3Cl2NO2

MW: 192.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.00
XLogP3	1.6
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
OR525672-01	5-Bromo-4,6-dichloronicotinic acid
OR1909	5,6-Dichloronicotinic acid
OR3876-01	2,5-Dichloronicotinic acid
OR11323-01	2,4-Dichloronicotinic acid
OR1090682-01	5-bromo-2,6-dichloronicotinic acid
OR86205-01	2-Amino-4,6-dichloronicotinic acid
OR1005064	4-Amino-2,6-dichloronicotinic acid
OR1907-01	2,6-Dichloronicotinic acid
OR1005155	4- ((Tert-butoxycarbonyl) amino) -2,6-dichloronicotinic acid

Catalog	Name
sc-308879	2,5-Dichloronicotinic acid
RG-D090344-01	5,6-Dichloronicotinic Acid
73027-79-9	4,6-Dichloronicotinic acid
RG-A261610-01	2,4-Dichloronicotinic Acid
TRC-A632568-1G	4-Amino-2,6-dichloronicotinic Acid
Fr12733	2,6-Dichloronicotinic acid
RG-E140903-01	4- ((tert-butoxycarbonyl) amino) -2,6-dichloronicotinic acid
sc-356916A	4,4,5,5,5-Pentafluoropentanoic acid