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
SMILESCC1=CC(=C(C=C1)N(C)C2=C(C=C(C=N2)C(=O)O)Cl)C
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
MW290.74 g/mol
LogP3.70
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 290.74 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 Weight290.74 g/mol
Exact Mass290.08
IUPAC Name5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid
SMILESCC1=CC(=C(C=C1)N(C)C2=C(C=C(C=N2)C(=O)O)Cl)C
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
XLogP3.70
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity353

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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 CC1=CC(=C(C=C1)N(C)C2=C(C=C(C=N2)C(=O)O)Cl)C.
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 290.74 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 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).