5-chloro-6-(N-ethyl-2-methylanilino)pyridine-3-carboxylic acid

C15H15ClN2O2 — CID 29285119

IUPAC5-chloro-6-(N-ethyl-2-methylanilino)pyridine-3-carboxylic acid
SMILESCCN(c1ccccc1C)c1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-3-18(13-7-5-4-6-10(13)2)14-12(16)8-11(9-17-14)15(19)20/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyBHUYJFCAFLHVAC-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.90
Rot. Bonds4

About 5-chloro-6-(N-ethyl-2-methylanilino)pyridine-3-carboxylic acid

5-chloro-6-(N-ethyl-2-methylanilino)pyridine-3-carboxylic acid (PubChem CID 29285119) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-chloro-6-(N-ethyl-2-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(N-ethyl-2-methylanilino)pyridine-3-carboxylic acid
PubChem CID29285119
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name5-chloro-6-(N-ethyl-2-methylanilino)pyridine-3-carboxylic acid
SMILESCCN(c1ccccc1C)c1ncc(C(=O)O)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-3-18(13-7-5-4-6-10(13)2)14-12(16)8-11(9-17-14)15(19)20/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyBHUYJFCAFLHVAC-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-bromo-3-chloro-N-ethyl-N-(2-methylphenyl)pyridin-2-amine
CID 103583130
5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
CID 63539159
5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid
CID 63537019
5-amino-6-(N-ethyl-2-methylanilino)pyridine-2-carboxylic acid
CID 114405133
6-[ethyl(methyl)amino]-5-methylpyridine-3-carboxylic acid;hydrochloride
CID 131844515
5-[ethyl-(2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414865
5-(2-aminoethyl)-N-ethyl-3-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 80633214
2-chloro-N-ethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 63548184
5-chloro-6-[[2-(ethylamino)-2-oxoethyl]-methylamino]pyridine-3-carboxylic acid
CID 54980980
4-chloro-N-ethyl-N-(2-methylphenyl)phthalazin-1-amine
CID 63548010
6-[(2-amino-2-oxoethyl)-butylamino]-5-chloropyridine-3-carboxylic acid
CID 55003577
5-amino-6-[(2-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440145

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(N-ethyl-2-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(N-ethyl-2-methylanilino)pyridine-3-carboxylic acid (CID 29285119) is 5-chloro-6-(N-ethyl-2-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(N-ethyl-2-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(N-ethyl-2-methylanilino)pyridine-3-carboxylic acid is CCN(c1ccccc1C)c1ncc(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-(N-ethyl-2-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is BHUYJFCAFLHVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-3-18(13-7-5-4-6-10(13)2)14-12(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-2-methylanilino)pyridine-3-carboxylic acid?
5-chloro-6-(N-ethyl-2-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-2-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 29285119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).