2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid

C13H14N2O2 — CID 79042723

IUPAC2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid
SMILESCc1ncccc1-n1c(C)cc(C(=O)O)c1C
InChIInChI=1S/C13H14N2O2/c1-8-7-11(13(16)17)10(3)15(8)12-5-4-6-14-9(12)2/h4-7H,1-3H3,(H,16,17)
InChIKeyXPFOELZZTOICIF-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.50
Rot. Bonds2

About 2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid

2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid (PubChem CID 79042723) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid
PubChem CID79042723
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid
SMILESCc1ncccc1-n1c(C)cc(C(=O)O)c1C
InChIInChI=1S/C13H14N2O2/c1-8-7-11(13(16)17)10(3)15(8)12-5-4-6-14-9(12)2/h4-7H,1-3H3,(H,16,17)
InChIKeyXPFOELZZTOICIF-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid (CID 79042723) is 2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid is Cc1ncccc1-n1c(C)cc(C(=O)O)c1C.
What is the InChIKey of 2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid?
The InChIKey is XPFOELZZTOICIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-7-11(13(16)17)10(3)15(8)12-5-4-6-14-9(12)2/h4-7H,1-3H3,(H,16,17).
What are the key properties of 2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid?
2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 79042723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).