5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid

C15H15ClN2O2 — CID 63537019

IUPAC5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid
SMILESCc1ccc(N(C)c2ncc(C(=O)O)cc2Cl)c(C)c1
InChIInChI=1S/C15H15ClN2O2/c1-9-4-5-13(10(2)6-9)18(3)14-12(16)7-11(8-17-14)15(19)20/h4-8H,1-3H3,(H,19,20)
InChIKeyHJQVOSDFTKTCLU-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.82
Rot. Bonds3

About 5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid

5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid (PubChem CID 63537019) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid
PubChem CID63537019
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid
SMILESCc1ccc(N(C)c2ncc(C(=O)O)cc2Cl)c(C)c1
InChIInChI=1S/C15H15ClN2O2/c1-9-4-5-13(10(2)6-9)18(3)14-12(16)7-11(8-17-14)15(19)20/h4-8H,1-3H3,(H,19,20)
InChIKeyHJQVOSDFTKTCLU-UHFFFAOYSA-N
XLogP3.82
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(2,5-dimethylphenoxy)pyridine-3-carboxylic acid
CID 28605623
5-chloro-6-(2-chloro-5-methylphenoxy)pyridine-3-carboxylic acid
CID 43364384
5-chloro-6-(N-ethyl-2-methylanilino)pyridine-3-carboxylic acid
CID 29285119
2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 79073469
5-chloro-6-(N-ethyl-3-methylanilino)pyridine-3-carboxylic acid
CID 63539159
5-chloro-6-(2-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 28967987
5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid
CID 107168816
6-(2,5-dimethylphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80632032
6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid
CID 66449315
4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 63550126
3-chloro-4-(2,4-dimethylphenyl)benzoic acid
CID 81307407
5-chloro-6-[1-(3-chlorophenyl)ethyl-methylamino]pyridine-3-carboxylic acid
CID 63537031

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid (CID 63537019) is 5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid is Cc1ccc(N(C)c2ncc(C(=O)O)cc2Cl)c(C)c1.
What is the InChIKey of 5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid?
The InChIKey is HJQVOSDFTKTCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-4-5-13(10(2)6-9)18(3)14-12(16)7-11(8-17-14)15(19)20/h4-8H,1-3H3,(H,19,20).
What are the key properties of 5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid?
5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid has a molecular weight of 290.75 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63537019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).