3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid

C13H14N2O2 — CID 102604824

IUPAC3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid
SMILESCc1ccn(CCc2ccccn2)c1C(=O)O
InChIInChI=1S/C13H14N2O2/c1-10-5-8-15(12(10)13(16)17)9-6-11-4-2-3-7-14-11/h2-5,7-8H,6,9H2,1H3,(H,16,17)
InChIKeyQWGBCHQVMKYKFU-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.13
Rot. Bonds4

About 3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid

3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid (PubChem CID 102604824) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid
PubChem CID102604824
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid
SMILESCc1ccn(CCc2ccccn2)c1C(=O)O
InChIInChI=1S/C13H14N2O2/c1-10-5-8-15(12(10)13(16)17)9-6-11-4-2-3-7-14-11/h2-5,7-8H,6,9H2,1H3,(H,16,17)
InChIKeyQWGBCHQVMKYKFU-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 55057978
acetic acid;2-propylpyridine;hydrobromide
CID 70094168
4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 55179316
phenyl-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 2090123
1-propyl-3-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
CID 63812391
1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde
CID 62221205
1-(2-pyridin-2-ylethyl)-2-sulfanylidenepyrimidin-4-one
CID 62403256
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine
CID 66404885
6-methyl-2-(2-pyridin-2-ylethoxy)pyridine-3-carboxylic acid
CID 62701733

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid (CID 102604824) is 3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid is Cc1ccn(CCc2ccccn2)c1C(=O)O.
What is the InChIKey of 3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid?
The InChIKey is QWGBCHQVMKYKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10-5-8-15(12(10)13(16)17)9-6-11-4-2-3-7-14-11/h2-5,7-8H,6,9H2,1H3,(H,16,17).
What are the key properties of 3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid?
3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-pyridin-2-ylethyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 102604824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).