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

C12H8Cl2N2O2 — CID 133087067

IUPAC6-amino-3-(2,6-dichlorophenyl)pyridine-2-carboxylic acid
SMILESNc1ccc(-c2c(Cl)cccc2Cl)c(C(=O)O)n1
InChIInChI=1S/C12H8Cl2N2O2/c13-7-2-1-3-8(14)10(7)6-4-5-9(15)16-11(6)12(17)18/h1-5H,(H2,15,16)(H,17,18)
InChIKeyACAHZYFSFLYOGO-UHFFFAOYSA-N
MW283.11 g/mol
LogP3.34
Rot. Bonds2

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

6-amino-3-(2,6-dichlorophenyl)pyridine-2-carboxylic acid (PubChem CID 133087067) has the molecular formula C12H8Cl2N2O2 and a molecular weight of 283.11 g/mol. Its IUPAC name is 6-amino-3-(2,6-dichlorophenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-(2,6-dichlorophenyl)pyridine-2-carboxylic acid
PubChem CID133087067
Molecular FormulaC12H8Cl2N2O2
Molecular Weight283.11 g/mol
Exact Mass282.00
IUPAC Name6-amino-3-(2,6-dichlorophenyl)pyridine-2-carboxylic acid
SMILESNc1ccc(-c2c(Cl)cccc2Cl)c(C(=O)O)n1
InChIInChI=1S/C12H8Cl2N2O2/c13-7-2-1-3-8(14)10(7)6-4-5-9(15)16-11(6)12(17)18/h1-5H,(H2,15,16)(H,17,18)
InChIKeyACAHZYFSFLYOGO-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

6-amino-3-phenylpyridine-2-carboxylic acid
CID 46314647
6-amino-3-(3-chloro-5-fluorophenyl)pyridine-2-carboxylic acid
CID 53229415
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CID 53229114
6-amino-3-(3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid
CID 53229220
5-(6-amino-2-carboxy-3-pyridinyl)benzene-1,3-dicarboxylic acid
CID 53229622
6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 53229205
6-amino-3-(3-methylsulfanylphenyl)pyridine-2-carboxylic acid
CID 53229349
6-amino-3-(1-benzothiophen-2-yl)pyridine-2-carboxylic acid
CID 53229427
6-amino-3-(2-fluoro-4-methylphenyl)pyridine-2-carboxylic acid
CID 53229212
2-amino-8-chloroquinazoline-4-carboxylic acid
CID 105481373
6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid
CID 53229646
6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 134637342

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2,6-dichlorophenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-3-(2,6-dichlorophenyl)pyridine-2-carboxylic acid (CID 133087067) is 6-amino-3-(2,6-dichlorophenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-3-(2,6-dichlorophenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-3-(2,6-dichlorophenyl)pyridine-2-carboxylic acid is Nc1ccc(-c2c(Cl)cccc2Cl)c(C(=O)O)n1.
What is the InChIKey of 6-amino-3-(2,6-dichlorophenyl)pyridine-2-carboxylic acid?
The InChIKey is ACAHZYFSFLYOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2/c13-7-2-1-3-8(14)10(7)6-4-5-9(15)16-11(6)12(17)18/h1-5H,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-3-(2,6-dichlorophenyl)pyridine-2-carboxylic acid?
6-amino-3-(2,6-dichlorophenyl)pyridine-2-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 6-amino-3-(2,6-dichlorophenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 133087067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).