1-(5-methyl-1H-pyrrol-2-yl)-2-pyridin-4-ylethanone

C12H12N2O — CID 71262844

IUPAC1-(5-methyl-1H-pyrrol-2-yl)-2-pyridin-4-ylethanone
SMILESCc1ccc(C(=O)Cc2ccncc2)[nH]1
InChIInChI=1S/C12H12N2O/c1-9-2-3-11(14-9)12(15)8-10-4-6-13-7-5-10/h2-7,14H,8H2,1H3
InChIKeyVWXBJPZDKOROGB-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.14
Rot. Bonds3

About 1-(5-methyl-1H-pyrrol-2-yl)-2-pyridin-4-ylethanone

1-(5-methyl-1H-pyrrol-2-yl)-2-pyridin-4-ylethanone (PubChem CID 71262844) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrrol-2-yl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrrol-2-yl)-2-pyridin-4-ylethanone
PubChem CID71262844
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-(5-methyl-1H-pyrrol-2-yl)-2-pyridin-4-ylethanone
SMILESCc1ccc(C(=O)Cc2ccncc2)[nH]1
InChIInChI=1S/C12H12N2O/c1-9-2-3-11(14-9)12(15)8-10-4-6-13-7-5-10/h2-7,14H,8H2,1H3
InChIKeyVWXBJPZDKOROGB-UHFFFAOYSA-N
XLogP2.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Acetylpyrrole
CID 14079
2-Propionylpyrrole
CID 61260
2-Benzoylpyridine
CID 7038
Phenyl(1H-pyrrol-2-YL)methanone
CID 24370
Indole, 3-(dimethylaminoacetyl)-
CID 34863
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864
6-(Phenylamino)-5,8-quinolinedione
CID 3976
3-Acetyl-6-methylpyridine
CID 95292
Indole, 3-((diethylamino)acetyl)-
CID 56375
2-Acetyl-4-methylpyridine
CID 564760
Bupicomide
CID 31447
1-(3-(2-Aminoethyl)-1H-indol-5-yl)ethanone
CID 20810

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrrol-2-yl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(5-methyl-1H-pyrrol-2-yl)-2-pyridin-4-ylethanone (CID 71262844) is 1-(5-methyl-1H-pyrrol-2-yl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(5-methyl-1H-pyrrol-2-yl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(5-methyl-1H-pyrrol-2-yl)-2-pyridin-4-ylethanone is Cc1ccc(C(=O)Cc2ccncc2)[nH]1.
What is the InChIKey of 1-(5-methyl-1H-pyrrol-2-yl)-2-pyridin-4-ylethanone?
The InChIKey is VWXBJPZDKOROGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-2-3-11(14-9)12(15)8-10-4-6-13-7-5-10/h2-7,14H,8H2,1H3.
What are the key properties of 1-(5-methyl-1H-pyrrol-2-yl)-2-pyridin-4-ylethanone?
1-(5-methyl-1H-pyrrol-2-yl)-2-pyridin-4-ylethanone has a molecular weight of 200.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrrol-2-yl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 71262844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).