2-(1-methylpyrrol-3-yl)-6-oxo-1H-pyridine-4-carboxylic acid

C11H10N2O3 — CID 82285349

IUPAC2-(1-methylpyrrol-3-yl)-6-oxo-1H-pyridine-4-carboxylic acid
SMILESCn1ccc(-c2cc(C(=O)O)cc(=O)[nH]2)c1
InChIInChI=1S/C11H10N2O3/c1-13-3-2-7(6-13)9-4-8(11(15)16)5-10(14)12-9/h2-6H,1H3,(H,12,14)(H,15,16)
InChIKeyIVMGMNOLKYUCJH-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.08
Rot. Bonds2

About 2-(1-methylpyrrol-3-yl)-6-oxo-1H-pyridine-4-carboxylic acid

2-(1-methylpyrrol-3-yl)-6-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 82285349) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(1-methylpyrrol-3-yl)-6-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpyrrol-3-yl)-6-oxo-1H-pyridine-4-carboxylic acid
PubChem CID82285349
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-(1-methylpyrrol-3-yl)-6-oxo-1H-pyridine-4-carboxylic acid
SMILESCn1ccc(-c2cc(C(=O)O)cc(=O)[nH]2)c1
InChIInChI=1S/C11H10N2O3/c1-13-3-2-7(6-13)9-4-8(11(15)16)5-10(14)12-9/h2-6H,1H3,(H,12,14)(H,15,16)
InChIKeyIVMGMNOLKYUCJH-UHFFFAOYSA-N
XLogP1.08
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-3-yl)-6-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 2-(1-methylpyrrol-3-yl)-6-oxo-1H-pyridine-4-carboxylic acid (CID 82285349) is 2-(1-methylpyrrol-3-yl)-6-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(1-methylpyrrol-3-yl)-6-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 2-(1-methylpyrrol-3-yl)-6-oxo-1H-pyridine-4-carboxylic acid is Cn1ccc(-c2cc(C(=O)O)cc(=O)[nH]2)c1.
What is the InChIKey of 2-(1-methylpyrrol-3-yl)-6-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is IVMGMNOLKYUCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-13-3-2-7(6-13)9-4-8(11(15)16)5-10(14)12-9/h2-6H,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-(1-methylpyrrol-3-yl)-6-oxo-1H-pyridine-4-carboxylic acid?
2-(1-methylpyrrol-3-yl)-6-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-3-yl)-6-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 82285349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).