5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid

C12H8Cl2N2O2 — CID 133087222

IUPAC5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Cl2N2O2/c13-7-1-2-9(14)8(4-7)11-10(15)3-6(5-16-11)12(17)18/h1-5H,15H2,(H,17,18)
InChIKeyAQXPCFPIPUBYDS-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.34
Rot. Bonds2

About 5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid

5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid (PubChem CID 133087222) has the molecular formula C12H8Cl2N2O2 and a molecular weight of 283.11 g/mol. Its IUPAC name is 5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid
PubChem CID133087222
Molecular FormulaC12H8Cl2N2O2
Molecular Weight283.11 g/mol
Exact Mass282.00
IUPAC Name5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H8Cl2N2O2/c13-7-1-2-9(14)8(4-7)11-10(15)3-6(5-16-11)12(17)18/h1-5H,15H2,(H,17,18)
InChIKeyAQXPCFPIPUBYDS-UHFFFAOYSA-N
XLogP3.34
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087184
methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate
CID 133087385
6-amino-5-(2,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087190
2-(2,5-dichlorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118847412
5-amino-6-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 81439243
5,6-bis(2,5-dichlorophenyl)pyridin-3-amine
CID 133087009
6-(2,5-dichlorophenyl)pyridazine-3,5-diamine
CID 90979911
6-chloroquinoline-3-carboxylic acid
CID 14241492
5,6-diaminopyridine-3-carboxylic acid
CID 22476298
5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 82716669
6-amino-5-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid
CID 74888630
6-(2,5-dichlorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 133090645

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid (CID 133087222) is 5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid?
The InChIKey is AQXPCFPIPUBYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2/c13-7-1-2-9(14)8(4-7)11-10(15)3-6(5-16-11)12(17)18/h1-5H,15H2,(H,17,18).
What are the key properties of 5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid?
5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid has a molecular weight of 283.11 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 133087222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).