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

C12H12N2O2 — CID 16787010

IUPAC2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)n1-c1ccccn1
InChIInChI=1S/C12H12N2O2/c1-8-7-10(12(15)16)9(2)14(8)11-5-3-4-6-13-11/h3-7H,1-2H3,(H,15,16)
InChIKeyZKFHNXWVHGPBRH-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.19
Rot. Bonds2

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

2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylic acid (PubChem CID 16787010) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylic acid
PubChem CID16787010
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)n1-c1ccccn1
InChIInChI=1S/C12H12N2O2/c1-8-7-10(12(15)16)9(2)14(8)11-5-3-4-6-13-11/h3-7H,1-2H3,(H,15,16)
InChIKeyZKFHNXWVHGPBRH-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

Metanixin
CID 10466908
2,5-Dimethyl-1-[(pyridin-4-yl)methyl]-1H-pyrrole-3-carboxylic acid
CID 2736289
6-(Dimethylamino)-3-pyridinecarboxylic acid
CID 99209
6-[(Propan-2-yl)amino]pyridine-3-carboxylic acid
CID 28400003
6-(Cyclopropylamino)pyridine-3-carboxylic acid
CID 28400038
Imidazo[1,2-a]pyridine-8-carboxylic acid
CID 11715357
2,5-Dimethyl-1-(4-methylpyridin-2-YL)-1H-pyrrole-3-carbaldehyde
CID 885302
2-(Benzylamino)nicotinic acid
CID 214596
1-benzyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
CID 935740
6-(Acetylamino)nicotinic acid
CID 419744
6-(1H-pyrazol-1-yl)pyridine-3-carboxylic acid
CID 2763614
6-(Phenylamino)nicotinic acid
CID 2771812

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylic acid (CID 16787010) is 2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylic acid is Cc1cc(C(=O)O)c(C)n1-c1ccccn1.
What is the InChIKey of 2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylic acid?
The InChIKey is ZKFHNXWVHGPBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-7-10(12(15)16)9(2)14(8)11-5-3-4-6-13-11/h3-7H,1-2H3,(H,15,16).
What are the key properties of 2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylic acid?
2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.19, 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-pyridin-2-ylpyrrole-3-carboxylic acid is sourced from PubChem (CID 16787010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).