phenyl-(4-pyridin-2-yl-1H-pyrrol-3-yl)methanone

C16H12N2O — CID 90646559

IUPACphenyl-(4-pyridin-2-yl-1H-pyrrol-3-yl)methanone
SMILESO=C(c1ccccc1)c1c[nH]cc1-c1ccccn1
InChIInChI=1S/C16H12N2O/c19-16(12-6-2-1-3-7-12)14-11-17-10-13(14)15-8-4-5-9-18-15/h1-11,17H
InChIKeyBWGMSXAYZIRQDT-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.31
Rot. Bonds3

About phenyl-(4-pyridin-2-yl-1H-pyrrol-3-yl)methanone

phenyl-(4-pyridin-2-yl-1H-pyrrol-3-yl)methanone (PubChem CID 90646559) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is phenyl-(4-pyridin-2-yl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Namephenyl-(4-pyridin-2-yl-1H-pyrrol-3-yl)methanone
PubChem CID90646559
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Namephenyl-(4-pyridin-2-yl-1H-pyrrol-3-yl)methanone
SMILESO=C(c1ccccc1)c1c[nH]cc1-c1ccccn1
InChIInChI=1S/C16H12N2O/c19-16(12-6-2-1-3-7-12)14-11-17-10-13(14)15-8-4-5-9-18-15/h1-11,17H
InChIKeyBWGMSXAYZIRQDT-UHFFFAOYSA-N
XLogP3.31
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxyphenyl)-(2-pyridin-2-ylphenyl)methanone
CID 102294029
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
3-pyridin-2-yl-1H-pyrrole-2-carboxylic acid
CID 67047681
1-phenyl-2-(2-pyridin-2-ylphenyl)ethanone
CID 138970108
phenyl-(2-silylphenyl)methanone
CID 137327642
2,3-dimethyl-4-pyridin-2-ylbenzoic acid
CID 175747160
cesium 2,6-dipyridin-2-ylphenolate
CID 59522981
(E)-but-2-enedioic acid;2-pyridin-2-ylpyridine
CID 139063802
2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 175747170
N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide
CID 153484119
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514

Frequently Asked Questions

What is the IUPAC name of phenyl-(4-pyridin-2-yl-1H-pyrrol-3-yl)methanone?
The IUPAC name of phenyl-(4-pyridin-2-yl-1H-pyrrol-3-yl)methanone (CID 90646559) is phenyl-(4-pyridin-2-yl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for phenyl-(4-pyridin-2-yl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for phenyl-(4-pyridin-2-yl-1H-pyrrol-3-yl)methanone is O=C(c1ccccc1)c1c[nH]cc1-c1ccccn1.
What is the InChIKey of phenyl-(4-pyridin-2-yl-1H-pyrrol-3-yl)methanone?
The InChIKey is BWGMSXAYZIRQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16(12-6-2-1-3-7-12)14-11-17-10-13(14)15-8-4-5-9-18-15/h1-11,17H.
What are the key properties of phenyl-(4-pyridin-2-yl-1H-pyrrol-3-yl)methanone?
phenyl-(4-pyridin-2-yl-1H-pyrrol-3-yl)methanone has a molecular weight of 248.29 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-pyridin-2-yl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 90646559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).