4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid

C11H12N2O2 — CID 130656006

IUPAC4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid
SMILESCc1cc(N2CC=CC2)cc(C(=O)O)n1
InChIInChI=1S/C11H12N2O2/c1-8-6-9(13-4-2-3-5-13)7-10(12-8)11(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChIKeyGXDHKMCOJGIQLT-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.46
Rot. Bonds2

About 4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid

4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid (PubChem CID 130656006) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid
PubChem CID130656006
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid
SMILESCc1cc(N2CC=CC2)cc(C(=O)O)n1
InChIInChI=1S/C11H12N2O2/c1-8-6-9(13-4-2-3-5-13)7-10(12-8)11(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChIKeyGXDHKMCOJGIQLT-UHFFFAOYSA-N
XLogP1.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(2-carboxy-6-methyl-4-pyridinyl)-6-methylpyridine-2-carboxylic acid
CID 163216957
2-(3-hydroxyazetidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 131107872
2-(3,6-dihydro-2H-pyridin-1-yl)-6-methylpyridine-4-carboxylic acid
CID 114410077
4-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 118846293
CID 174063245
CID 174063245
1-(2-methyl-6-phenyl-4-pyridinyl)piperidin-4-ol
CID 143206385
4-(2-bromoprop-2-enylamino)-6-methylpyridine-2-carboxylic acid
CID 130640137
6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid
CID 63078321
6-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine-4-carboxylic acid
CID 107553845
4,6-dimethylpyridine-2-carboxylic acid;1-(4,6-dimethyl-2-pyridinyl)propan-1-one;ethane
CID 158929011
6-methyl-4-[methyl(propan-2-yl)amino]pyridine-2-carboxylic acid
CID 58418036
4-(2,6-dimethyl-4-pyridinyl)thiomorpholine
CID 143551760

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid (CID 130656006) is 4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid is Cc1cc(N2CC=CC2)cc(C(=O)O)n1.
What is the InChIKey of 4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid?
The InChIKey is GXDHKMCOJGIQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-6-9(13-4-2-3-5-13)7-10(12-8)11(14)15/h2-3,6-7H,4-5H2,1H3,(H,14,15).
What are the key properties of 4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid?
4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydropyrrol-1-yl)-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 130656006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).