3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid

C14H14N2O2 — CID 69183844

IUPAC3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid
SMILESCc1cc(-c2cc(C)nc(C(=O)O)c2C)ccn1
InChIInChI=1S/C14H14N2O2/c1-8-6-11(4-5-15-8)12-7-9(2)16-13(10(12)3)14(17)18/h4-7H,1-3H3,(H,17,18)
InChIKeyOGWFZQXRCYCYLV-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.77
Rot. Bonds2

About 3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid

3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid (PubChem CID 69183844) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid
PubChem CID69183844
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid
SMILESCc1cc(-c2cc(C)nc(C(=O)O)c2C)ccn1
InChIInChI=1S/C14H14N2O2/c1-8-6-11(4-5-15-8)12-7-9(2)16-13(10(12)3)14(17)18/h4-7H,1-3H3,(H,17,18)
InChIKeyOGWFZQXRCYCYLV-UHFFFAOYSA-N
XLogP2.77
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid?
The IUPAC name of 3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid (CID 69183844) is 3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid is Cc1cc(-c2cc(C)nc(C(=O)O)c2C)ccn1.
What is the InChIKey of 3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid?
The InChIKey is OGWFZQXRCYCYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8-6-11(4-5-15-8)12-7-9(2)16-13(10(12)3)14(17)18/h4-7H,1-3H3,(H,17,18).
What are the key properties of 3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid?
3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-(2-methyl-4-pyridinyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 69183844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).