6-[2-(2-methylthiophene-3-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid

C16H12N2O3S — CID 57221833

IUPAC6-[2-(2-methylthiophene-3-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid
SMILESCc1sccc1C(=O)C1(c2ccc(C(=O)O)cn2)C=CC=N1
InChIInChI=1S/C16H12N2O3S/c1-10-12(5-8-22-10)14(19)16(6-2-7-18-16)13-4-3-11(9-17-13)15(20)21/h2-9H,1H3,(H,20,21)
InChIKeyJBJDKDNYZHZEHC-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.87
Rot. Bonds4

About 6-[2-(2-methylthiophene-3-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid

6-[2-(2-methylthiophene-3-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid (PubChem CID 57221833) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is 6-[2-(2-methylthiophene-3-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(2-methylthiophene-3-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid
PubChem CID57221833
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Name6-[2-(2-methylthiophene-3-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid
SMILESCc1sccc1C(=O)C1(c2ccc(C(=O)O)cn2)C=CC=N1
InChIInChI=1S/C16H12N2O3S/c1-10-12(5-8-22-10)14(19)16(6-2-7-18-16)13-4-3-11(9-17-13)15(20)21/h2-9H,1H3,(H,20,21)
InChIKeyJBJDKDNYZHZEHC-UHFFFAOYSA-N
XLogP2.87
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-methylthiophene-3-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(2-methylthiophene-3-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid (CID 57221833) is 6-[2-(2-methylthiophene-3-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(2-methylthiophene-3-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(2-methylthiophene-3-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid is Cc1sccc1C(=O)C1(c2ccc(C(=O)O)cn2)C=CC=N1.
What is the InChIKey of 6-[2-(2-methylthiophene-3-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid?
The InChIKey is JBJDKDNYZHZEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c1-10-12(5-8-22-10)14(19)16(6-2-7-18-16)13-4-3-11(9-17-13)15(20)21/h2-9H,1H3,(H,20,21).
What are the key properties of 6-[2-(2-methylthiophene-3-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid?
6-[2-(2-methylthiophene-3-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-methylthiophene-3-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 57221833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).