3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid

C12H12N2O2 — CID 90154501

IUPAC3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid
SMILESCc1ccc(C)n1-c1cccnc1C(=O)O
InChIInChI=1S/C12H12N2O2/c1-8-5-6-9(2)14(8)10-4-3-7-13-11(10)12(15)16/h3-7H,1-2H3,(H,15,16)
InChIKeyCTLCPRKATRDILR-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.19
Rot. Bonds2

About 3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid

3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid (PubChem CID 90154501) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid
PubChem CID90154501
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid
SMILESCc1ccc(C)n1-c1cccnc1C(=O)O
InChIInChI=1S/C12H12N2O2/c1-8-5-6-9(2)14(8)10-4-3-7-13-11(10)12(15)16/h3-7H,1-2H3,(H,15,16)
InChIKeyCTLCPRKATRDILR-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

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Related Compounds

3-(triazol-2-yl)pyridine-2-carboxylic acid
CID 66742288
3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 103499765
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
tetrakis(2-carboxypyridin-3-olate);iridium
CID 173055687
3-(3,4,5-trimethylpiperazin-1-yl)pyridine-2-carboxylic acid
CID 114541181
3-(4-chlorotriazol-2-yl)pyridine-2-carboxylic acid
CID 118510835
pyridine-2,3-dicarboxylic acid
CID 1066
2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid
CID 79042723
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 131739918
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685
pyridine-2,3-dicarboxylic acid;dihydrochloride
CID 66831313
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid (CID 90154501) is 3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid is Cc1ccc(C)n1-c1cccnc1C(=O)O.
What is the InChIKey of 3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid?
The InChIKey is CTLCPRKATRDILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-5-6-9(2)14(8)10-4-3-7-13-11(10)12(15)16/h3-7H,1-2H3,(H,15,16).
What are the key properties of 3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid?
3-(2,5-dimethylpyrrol-1-yl)pyridine-2-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 3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 90154501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).