2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid

C12H8Cl2N2O2 — CID 119004294

IUPAC2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid
SMILESNc1nccc(C(=O)O)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2N2O2/c13-8-2-1-6(5-9(8)14)10-7(12(17)18)3-4-16-11(10)15/h1-5H,(H2,15,16)(H,17,18)
InChIKeyZXACVSMEFBIIMY-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.34
Rot. Bonds2

About 2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid

2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid (PubChem CID 119004294) has the molecular formula C12H8Cl2N2O2 and a molecular weight of 283.11 g/mol. Its IUPAC name is 2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid
PubChem CID119004294
Molecular FormulaC12H8Cl2N2O2
Molecular Weight283.11 g/mol
Exact Mass282.00
IUPAC Name2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid
SMILESNc1nccc(C(=O)O)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H8Cl2N2O2/c13-8-2-1-6(5-9(8)14)10-7(12(17)18)3-4-16-11(10)15/h1-5H,(H2,15,16)(H,17,18)
InChIKeyZXACVSMEFBIIMY-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

2-chloro-3-(3,5-dichlorophenyl)pyridine-4-carboxylic acid
CID 119000557
2-amino-3-(5-chloro-1H-indazol-3-yl)pyridine-4-carboxylic acid
CID 90242515
2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68944876
2-fluoro-3-(2,4,6-trichlorophenyl)pyridine-4-carboxylic acid
CID 133090252
3-amino-2-(2,4,5-trichlorophenyl)pyridine-4-carboxylic acid
CID 133086569
2-(3,4-dichlorophenyl)-5-hydroxy-3-methylbenzoic acid
CID 82045546
5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 82298713
4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid
CID 53228066
4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid
CID 16768707
4-(3,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 14182189
2-amino-3-(3,4,5-trichlorophenyl)pyridine-4-carbonitrile
CID 119021726
methyl 2-amino-3-phenylpyridine-4-carboxylate
CID 133098297

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid (CID 119004294) is 2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid is Nc1nccc(C(=O)O)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid?
The InChIKey is ZXACVSMEFBIIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2/c13-8-2-1-6(5-9(8)14)10-7(12(17)18)3-4-16-11(10)15/h1-5H,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid?
2-amino-3-(3,4-dichlorophenyl)pyridine-4-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 2-amino-3-(3,4-dichlorophenyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 119004294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).