5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid

C15H15ClN2O2 — CID 63539159

IUPAC5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
SMILESCCN(c1cccc(C)c1)c1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-3-18(12-6-4-5-10(2)7-12)14-13(16)8-11(9-17-14)15(19)20/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyMGFZYLYYAGUWCZ-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.90
Rot. Bonds4

About 5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid

5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid (PubChem CID 63539159) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
PubChem CID63539159
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
SMILESCCN(c1cccc(C)c1)c1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-3-18(12-6-4-5-10(2)7-12)14-13(16)8-11(9-17-14)15(19)20/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyMGFZYLYYAGUWCZ-UHFFFAOYSA-N
XLogP3.90
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(N-ethyl-2-methylanilino)pyridine-3-carboxylic acid
CID 29285119
6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
CID 61101859
3,5,6-trichloro-N-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 102750483
2-(N-ethyl-3-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 62701835
3-bromo-4-(N-ethyl-3-methylanilino)benzoic acid
CID 82800688
5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid
CID 63537019
N-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113037354
N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109267707
N-tert-butyl-5-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109195162
2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109247056
3-chloro-5-(chloromethyl)-N-ethyl-N-phenylpyridin-2-amine
CID 63445549
N-(5-chloro-2-methylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269032

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid (CID 63539159) is 5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid is CCN(c1cccc(C)c1)c1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is MGFZYLYYAGUWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-3-18(12-6-4-5-10(2)7-12)14-13(16)8-11(9-17-14)15(19)20/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid?
5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63539159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).