2-(2,4-dimethylanilino)pyridine-3-carboxylic acid

C14H14N2O2 — CID 1174126

IUPAC2-(2,4-dimethylanilino)pyridine-3-carboxylic acid
SMILESCc1ccc(Nc2ncccc2C(=O)O)c(C)c1
InChIInChI=1S/C14H14N2O2/c1-9-5-6-12(10(2)8-9)16-13-11(14(17)18)4-3-7-15-13/h3-8H,1-2H3,(H,15,16)(H,17,18)
InChIKeyIHGRBDWEPCBBAB-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.14
Rot. Bonds3

About 2-(2,4-dimethylanilino)pyridine-3-carboxylic acid

2-(2,4-dimethylanilino)pyridine-3-carboxylic acid (PubChem CID 1174126) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)pyridine-3-carboxylic acid
PubChem CID1174126
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-(2,4-dimethylanilino)pyridine-3-carboxylic acid
SMILESCc1ccc(Nc2ncccc2C(=O)O)c(C)c1
InChIInChI=1S/C14H14N2O2/c1-9-5-6-12(10(2)8-9)16-13-11(14(17)18)4-3-7-15-13/h3-8H,1-2H3,(H,15,16)(H,17,18)
InChIKeyIHGRBDWEPCBBAB-UHFFFAOYSA-N
XLogP3.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,4-dimethylanilino)pyridine-3-carboxylic acid (CID 1174126) is 2-(2,4-dimethylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethylanilino)pyridine-3-carboxylic acid is Cc1ccc(Nc2ncccc2C(=O)O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)pyridine-3-carboxylic acid?
The InChIKey is IHGRBDWEPCBBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-5-6-12(10(2)8-9)16-13-11(14(17)18)4-3-7-15-13/h3-8H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-(2,4-dimethylanilino)pyridine-3-carboxylic acid?
2-(2,4-dimethylanilino)pyridine-3-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 1174126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).