4-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxylic acid

C15H14N2O4 — CID 102499912

IUPAC4-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxylic acid
SMILESCN(C)c1ccc(-c2cc(C(=O)O)nc(C(=O)O)c2)cc1
InChIInChI=1S/C15H14N2O4/c1-17(2)11-5-3-9(4-6-11)10-7-12(14(18)19)16-13(8-10)15(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyDQHITQIMWFWBNY-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.21
Rot. Bonds4

About 4-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxylic acid

4-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxylic acid (PubChem CID 102499912) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxylic acid
PubChem CID102499912
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxylic acid
SMILESCN(C)c1ccc(-c2cc(C(=O)O)nc(C(=O)O)c2)cc1
InChIInChI=1S/C15H14N2O4/c1-17(2)11-5-3-9(4-6-11)10-7-12(14(18)19)16-13(8-10)15(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyDQHITQIMWFWBNY-UHFFFAOYSA-N
XLogP2.21
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxylic acid?
The IUPAC name of 4-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxylic acid (CID 102499912) is 4-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxylic acid?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxylic acid is CN(C)c1ccc(-c2cc(C(=O)O)nc(C(=O)O)c2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxylic acid?
The InChIKey is DQHITQIMWFWBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-17(2)11-5-3-9(4-6-11)10-7-12(14(18)19)16-13(8-10)15(20)21/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxylic acid?
4-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 102499912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).