4-iodo-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxylic acid

C11H9IN2O2 — CID 114605909

IUPAC4-iodo-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxylic acid
SMILESCc1ncccc1-n1cc(I)cc1C(=O)O
InChIInChI=1S/C11H9IN2O2/c1-7-9(3-2-4-13-7)14-6-8(12)5-10(14)11(15)16/h2-6H,1H3,(H,15,16)
InChIKeyYMNXXVWNHRLUOO-UHFFFAOYSA-N
MW328.11 g/mol
LogP2.48
Rot. Bonds2

About 4-iodo-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxylic acid

4-iodo-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxylic acid (PubChem CID 114605909) has the molecular formula C11H9IN2O2 and a molecular weight of 328.11 g/mol. Its IUPAC name is 4-iodo-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-iodo-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxylic acid
PubChem CID114605909
Molecular FormulaC11H9IN2O2
Molecular Weight328.11 g/mol
Exact Mass327.97
IUPAC Name4-iodo-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxylic acid
SMILESCc1ncccc1-n1cc(I)cc1C(=O)O
InChIInChI=1S/C11H9IN2O2/c1-7-9(3-2-4-13-7)14-6-8(12)5-10(14)11(15)16/h2-6H,1H3,(H,15,16)
InChIKeyYMNXXVWNHRLUOO-UHFFFAOYSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.11
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-1-(4-methyl-3-pyridinyl)pyrrole-2-carboxylic acid
CID 114605401
1-(2-tert-butylphenyl)-4-iodopyrrole-2-carboxylic acid
CID 114605600
1-(5-fluoro-2-methylphenyl)-4-iodopyrrole-2-carboxylic acid
CID 114603585
2,5-dimethyl-1-(2-methyl-3-pyridinyl)pyrrole-3-carboxylic acid
CID 79042723
1-(2-methyl-3-pyridinyl)-2-oxopyridine-3-carboxylic acid
CID 137457935
1-(2-chloro-4-fluorophenyl)-4-iodopyrrole-2-carboxylic acid
CID 114603399
4-iodo-1-(1-methylpyrazol-3-yl)pyrrole-2-carboxylic acid
CID 114605986
4-bromo-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrole-2-carboxylic acid
CID 66854098
3-(aziridin-1-yl)-2-methylpyridine
CID 54398386
4-(2,3-dihydropyrrolo[3,2-b]pyridin-1-ylsulfonyl)-1,5-dimethylpyrrole-2-carboxylic acid
CID 177323120
3-(2,5-dimethylpyrrol-1-yl)pyridine-2-carboxylic acid
CID 90154501
2-methylpyridine-3-carboxylic acid;hydroiodide
CID 70394156

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxylic acid?
The IUPAC name of 4-iodo-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxylic acid (CID 114605909) is 4-iodo-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-iodo-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 4-iodo-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxylic acid is Cc1ncccc1-n1cc(I)cc1C(=O)O.
What is the InChIKey of 4-iodo-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxylic acid?
The InChIKey is YMNXXVWNHRLUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2O2/c1-7-9(3-2-4-13-7)14-6-8(12)5-10(14)11(15)16/h2-6H,1H3,(H,15,16).
What are the key properties of 4-iodo-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxylic acid?
4-iodo-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxylic acid has a molecular weight of 328.11 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-(2-methyl-3-pyridinyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 114605909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).