1-(4-bromophenyl)-2-pyridin-2-ylethanone

C13H10BrNO — CID 22719885

IUPAC1-(4-bromophenyl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrNO/c14-11-6-4-10(5-7-11)13(16)9-12-3-1-2-8-15-12/h1-8H,9H2
InChIKeyXEBXAVNJDPUBTP-UHFFFAOYSA-N
MW276.13 g/mol
LogP3.27
Rot. Bonds3

About 1-(4-bromophenyl)-2-pyridin-2-ylethanone

1-(4-bromophenyl)-2-pyridin-2-ylethanone (PubChem CID 22719885) has the molecular formula C13H10BrNO and a molecular weight of 276.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-pyridin-2-ylethanone
PubChem CID22719885
Molecular FormulaC13H10BrNO
Molecular Weight276.13 g/mol
Exact Mass274.99
IUPAC Name1-(4-bromophenyl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrNO/c14-11-6-4-10(5-7-11)13(16)9-12-3-1-2-8-15-12/h1-8H,9H2
InChIKeyXEBXAVNJDPUBTP-UHFFFAOYSA-N
XLogP3.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(4-bromophenyl)-2-pyridin-2-ylethanone (CID 22719885) is 1-(4-bromophenyl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-pyridin-2-ylethanone?
The InChIKey is XEBXAVNJDPUBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO/c14-11-6-4-10(5-7-11)13(16)9-12-3-1-2-8-15-12/h1-8H,9H2.
What are the key properties of 1-(4-bromophenyl)-2-pyridin-2-ylethanone?
1-(4-bromophenyl)-2-pyridin-2-ylethanone has a molecular weight of 276.13 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 22719885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).