(3-bromophenyl)-pyridin-3-ylmethanone

C12H8BrNO — CID 12930026

IUPAC(3-bromophenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cccc(Br)c1
InChIInChI=1S/C12H8BrNO/c13-11-5-1-3-9(7-11)12(15)10-4-2-6-14-8-10/h1-8H
InChIKeyFTXXJDKGEXUPJR-UHFFFAOYSA-N
MW262.11 g/mol
LogP3.08
Rot. Bonds2

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

(3-bromophenyl)-pyridin-3-ylmethanone (PubChem CID 12930026) has the molecular formula C12H8BrNO and a molecular weight of 262.11 g/mol. Its IUPAC name is (3-bromophenyl)-pyridin-3-ylmethanone.

Molecular Properties

Compound Name(3-bromophenyl)-pyridin-3-ylmethanone
PubChem CID12930026
Molecular FormulaC12H8BrNO
Molecular Weight262.11 g/mol
Exact Mass260.98
IUPAC Name(3-bromophenyl)-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)c1cccc(Br)c1
InChIInChI=1S/C12H8BrNO/c13-11-5-1-3-9(7-11)12(15)10-4-2-6-14-8-10/h1-8H
InChIKeyFTXXJDKGEXUPJR-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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Related Compounds

(3-amino-5-bromophenyl)-pyridin-3-ylmethanone
CID 50994432
(2,5-dibromophenyl)-pyridin-3-ylmethanone
CID 112694374
[3-(methylamino)phenyl]-pyridin-3-ylmethanone
CID 116917352
[3-bromo-5-(difluoromethyl)phenyl]-pyridin-3-ylmethanone
CID 134621771
[3-(dimethylamino)phenyl]-pyridin-3-ylmethanone
CID 105081243
4-(3-bromophenyl)butan-1-ol;4-[3-(pyridine-3-carbonyl)phenyl]butanoic acid
CID 70303331
[3-(difluoromethoxy)phenyl]-pyridin-3-ylmethanone
CID 114963185
[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone
CID 22494542
(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone
CID 106754556
(5-bromo-2-pyridinyl)-pyridin-3-ylmethanone
CID 86696896
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-pyridin-3-ylmethanone?
The IUPAC name of (3-bromophenyl)-pyridin-3-ylmethanone (CID 12930026) is (3-bromophenyl)-pyridin-3-ylmethanone.
What is the SMILES notation for (3-bromophenyl)-pyridin-3-ylmethanone?
The canonical SMILES for (3-bromophenyl)-pyridin-3-ylmethanone is O=C(c1cccnc1)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-pyridin-3-ylmethanone?
The InChIKey is FTXXJDKGEXUPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrNO/c13-11-5-1-3-9(7-11)12(15)10-4-2-6-14-8-10/h1-8H.
What are the key properties of (3-bromophenyl)-pyridin-3-ylmethanone?
(3-bromophenyl)-pyridin-3-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-3-ylmethanone is sourced from PubChem (CID 12930026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).