5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid

C13H12ClN3O3 — CID 114406135

IUPAC5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid
SMILESCOc1ccc(Cl)c(Nc2nc(C(=O)O)ccc2N)c1
InChIInChI=1S/C13H12ClN3O3/c1-20-7-2-3-8(14)11(6-7)17-12-9(15)4-5-10(16-12)13(18)19/h2-6H,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyULLYGHUZMCJGMW-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.77
Rot. Bonds4

About 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid

5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid (PubChem CID 114406135) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid
PubChem CID114406135
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid
SMILESCOc1ccc(Cl)c(Nc2nc(C(=O)O)ccc2N)c1
InChIInChI=1S/C13H12ClN3O3/c1-20-7-2-3-8(14)11(6-7)17-12-9(15)4-5-10(16-12)13(18)19/h2-6H,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyULLYGHUZMCJGMW-UHFFFAOYSA-N
XLogP2.77
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid
CID 81440060
methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
CID 107531028
5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid
CID 114405965
5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid
CID 114405610
methyl 5-amino-6-(2-chloroanilino)pyridine-2-carboxylate
CID 114405187
5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
CID 114406914
5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid
CID 114407056
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid
CID 107615648
5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 114404993
5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid
CID 63539528
5-amino-6-(4-methoxy-N-methylanilino)pyridine-2-carboxylic acid
CID 114406275

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid (CID 114406135) is 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid is COc1ccc(Cl)c(Nc2nc(C(=O)O)ccc2N)c1.
What is the InChIKey of 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid?
The InChIKey is ULLYGHUZMCJGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-20-7-2-3-8(14)11(6-7)17-12-9(15)4-5-10(16-12)13(18)19/h2-6H,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid?
5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid has a molecular weight of 293.71 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114406135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).