1-[5-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-pyridin-4-ylethanone

C19H15FN2O2 — CID 164595727

IUPAC1-[5-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-pyridin-4-ylethanone
SMILESCn1c(C(=O)Cc2ccncc2)ccc1C(=O)c1ccccc1F
InChIInChI=1S/C19H15FN2O2/c1-22-16(18(23)12-13-8-10-21-11-9-13)6-7-17(22)19(24)14-4-2-3-5-15(14)20/h2-11H,12H2,1H3
InChIKeyLUNSJVYJFPVRSK-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.22
Rot. Bonds5

About 1-[5-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-pyridin-4-ylethanone

1-[5-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-pyridin-4-ylethanone (PubChem CID 164595727) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 1-[5-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-[5-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-pyridin-4-ylethanone
PubChem CID164595727
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name1-[5-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-pyridin-4-ylethanone
SMILESCn1c(C(=O)Cc2ccncc2)ccc1C(=O)c1ccccc1F
InChIInChI=1S/C19H15FN2O2/c1-22-16(18(23)12-13-8-10-21-11-9-13)6-7-17(22)19(24)14-4-2-3-5-15(14)20/h2-11H,12H2,1H3
InChIKeyLUNSJVYJFPVRSK-UHFFFAOYSA-N
XLogP3.22
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-pyridin-4-ylethanone?
The IUPAC name of 1-[5-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-pyridin-4-ylethanone (CID 164595727) is 1-[5-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-[5-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-pyridin-4-ylethanone?
The canonical SMILES for 1-[5-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-pyridin-4-ylethanone is Cn1c(C(=O)Cc2ccncc2)ccc1C(=O)c1ccccc1F.
What is the InChIKey of 1-[5-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-pyridin-4-ylethanone?
The InChIKey is LUNSJVYJFPVRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-22-16(18(23)12-13-8-10-21-11-9-13)6-7-17(22)19(24)14-4-2-3-5-15(14)20/h2-11H,12H2,1H3.
What are the key properties of 1-[5-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-pyridin-4-ylethanone?
1-[5-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-pyridin-4-ylethanone has a molecular weight of 322.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorobenzoyl)-1-methylpyrrol-2-yl]-2-pyridin-4-ylethanone is sourced from PubChem (CID 164595727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).