(3-bromophenyl)-pyridin-2-ylmethanone

C12H8BrNO — CID 12981436

IUPAC(3-bromophenyl)-pyridin-2-ylmethanone
SMILESO=C(c1cccc(Br)c1)c1ccccn1
InChIInChI=1S/C12H8BrNO/c13-10-5-3-4-9(8-10)12(15)11-6-1-2-7-14-11/h1-8H
InChIKeyNVGQILUWTNBMRD-UHFFFAOYSA-N
MW262.11 g/mol
LogP3.08
Rot. Bonds2

About (3-bromophenyl)-pyridin-2-ylmethanone

(3-bromophenyl)-pyridin-2-ylmethanone (PubChem CID 12981436) has the molecular formula C12H8BrNO and a molecular weight of 262.11 g/mol. Its IUPAC name is (3-bromophenyl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(3-bromophenyl)-pyridin-2-ylmethanone
PubChem CID12981436
Molecular FormulaC12H8BrNO
Molecular Weight262.11 g/mol
Exact Mass260.98
IUPAC Name(3-bromophenyl)-pyridin-2-ylmethanone
SMILESO=C(c1cccc(Br)c1)c1ccccn1
InChIInChI=1S/C12H8BrNO/c13-10-5-3-4-9(8-10)12(15)11-6-1-2-7-14-11/h1-8H
InChIKeyNVGQILUWTNBMRD-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 (3-bromophenyl)-pyridin-2-ylmethanone?
The IUPAC name of (3-bromophenyl)-pyridin-2-ylmethanone (CID 12981436) is (3-bromophenyl)-pyridin-2-ylmethanone.
What is the SMILES notation for (3-bromophenyl)-pyridin-2-ylmethanone?
The canonical SMILES for (3-bromophenyl)-pyridin-2-ylmethanone is O=C(c1cccc(Br)c1)c1ccccn1.
What is the InChIKey of (3-bromophenyl)-pyridin-2-ylmethanone?
The InChIKey is NVGQILUWTNBMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO/c13-10-5-3-4-9(8-10)12(15)11-6-1-2-7-14-11/h1-8H.
What are the key properties of (3-bromophenyl)-pyridin-2-ylmethanone?
(3-bromophenyl)-pyridin-2-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 (3-bromophenyl)-pyridin-2-ylmethanone is sourced from PubChem (CID 12981436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).