4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid

C12H13N3O2 — CID 28805947

IUPAC4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)c(N)c(-c2ccccn2)n1C
InChIInChI=1S/C12H13N3O2/c1-7-9(12(16)17)10(13)11(15(7)2)8-5-3-4-6-14-8/h3-6H,13H2,1-2H3,(H,16,17)
InChIKeyFFIQHHLPRKGZMA-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.68
Rot. Bonds2

About 4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid

4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid (PubChem CID 28805947) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid
PubChem CID28805947
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid
SMILESCc1c(C(=O)O)c(N)c(-c2ccccn2)n1C
InChIInChI=1S/C12H13N3O2/c1-7-9(12(16)17)10(13)11(15(7)2)8-5-3-4-6-14-8/h3-6H,13H2,1-2H3,(H,16,17)
InChIKeyFFIQHHLPRKGZMA-UHFFFAOYSA-N
XLogP1.68
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid?
The IUPAC name of 4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid (CID 28805947) is 4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid.
What is the SMILES notation for 4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid?
The canonical SMILES for 4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid is Cc1c(C(=O)O)c(N)c(-c2ccccn2)n1C.
What is the InChIKey of 4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid?
The InChIKey is FFIQHHLPRKGZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-9(12(16)17)10(13)11(15(7)2)8-5-3-4-6-14-8/h3-6H,13H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid?
4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxylic acid is sourced from PubChem (CID 28805947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).