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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Related Compounds

2,5-Dimethyl-1-[(pyridin-4-yl)methyl]-1H-pyrrole-3-carboxylic acid
CID 2736289
(2,2'-Bipyridine)-5,5'-dicarboxylic acid
CID 192744
2,2'-Bipyridine-3,3'-dicarboxylic Acid
CID 681885
6-Phenylnicotinic acid
CID 120118
2,2'-Bipyridine-4-Carboxylic Acid
CID 9942424
4'-(Methoxycarbonyl)-[2,2'-bipyridine]-4-carboxylic acid
CID 25138011
5-(1H-pyrrol-1-yl)pyridine-3-carboxylic acid
CID 2050101
(2,2'-Bipyridine)-5-carboxylic acid
CID 192752
Indolizine-2-carboxylic acid
CID 595143
2-(2h-1,2,3-Triazol-4-Yl)pyridine-4-Carboxylic Acid
CID 91801131
2,2'-Bipyridine-4,5'-dicarboxylic acid
CID 60018837
2-[1-[2-[Hexyl(methyl)amino]ethyl]triazol-4-yl]pyridine-4-carboxylic acid
CID 168148191

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).