5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid

C14H12Cl2N2O3 — CID 28529893

IUPAC5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid
SMILESCOc1cc(Cl)c(C)cc1Nc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C14H12Cl2N2O3/c1-7-3-11(12(21-2)5-9(7)15)18-13-10(16)4-8(6-17-13)14(19)20/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyQFJAWYUDPKLLMG-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.15
Rot. Bonds4

About 5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid

5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid (PubChem CID 28529893) has the molecular formula C14H12Cl2N2O3 and a molecular weight of 327.17 g/mol. Its IUPAC name is 5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid
PubChem CID28529893
Molecular FormulaC14H12Cl2N2O3
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid
SMILESCOc1cc(Cl)c(C)cc1Nc1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C14H12Cl2N2O3/c1-7-3-11(12(21-2)5-9(7)15)18-13-10(16)4-8(6-17-13)14(19)20/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyQFJAWYUDPKLLMG-UHFFFAOYSA-N
XLogP4.15
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid
CID 103414782
5-chloro-6-(4-chloro-2-methylanilino)pyridine-3-carboxylic acid
CID 114256027
4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81227803
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075212
2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381743
3-amino-4-(4-chloro-2-methoxy-5-methylanilino)benzoic acid
CID 60989481
4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 79915939
6-amino-5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 62153748
6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide
CID 109162131
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249701
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250448
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248614

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid (CID 28529893) is 5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid is COc1cc(Cl)c(C)cc1Nc1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is QFJAWYUDPKLLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3/c1-7-3-11(12(21-2)5-9(7)15)18-13-10(16)4-8(6-17-13)14(19)20/h3-6H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid?
5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 327.17 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 28529893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).