(4-bromophenyl)-pyridin-4-ylmethanone

C12H8BrNO — CID 766506

IUPAC(4-bromophenyl)-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C12H8BrNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H
InChIKeyRVVUXTXBVYRBRR-UHFFFAOYSA-N
MW262.11 g/mol
LogP3.08
Rot. Bonds2

About (4-bromophenyl)-pyridin-4-ylmethanone

(4-bromophenyl)-pyridin-4-ylmethanone (PubChem CID 766506) has the molecular formula C12H8BrNO and a molecular weight of 262.11 g/mol. Its IUPAC name is (4-bromophenyl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromophenyl)-pyridin-4-ylmethanone
PubChem CID766506
Molecular FormulaC12H8BrNO
Molecular Weight262.11 g/mol
Exact Mass260.98
IUPAC Name(4-bromophenyl)-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1ccc(Br)cc1
InChIInChI=1S/C12H8BrNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H
InChIKeyRVVUXTXBVYRBRR-UHFFFAOYSA-N
XLogP3.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-pyridin-4-ylmethanone?
The IUPAC name of (4-bromophenyl)-pyridin-4-ylmethanone (CID 766506) is (4-bromophenyl)-pyridin-4-ylmethanone.
What is the SMILES notation for (4-bromophenyl)-pyridin-4-ylmethanone?
The canonical SMILES for (4-bromophenyl)-pyridin-4-ylmethanone is O=C(c1ccncc1)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-pyridin-4-ylmethanone?
The InChIKey is RVVUXTXBVYRBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H.
What are the key properties of (4-bromophenyl)-pyridin-4-ylmethanone?
(4-bromophenyl)-pyridin-4-ylmethanone has a molecular weight of 262.11 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-pyridin-4-ylmethanone is sourced from PubChem (CID 766506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).