phenyl(2H-pyridin-1-yl)methanone;hydrobromide

C12H12BrNO — CID 175122296

IUPACphenyl(2H-pyridin-1-yl)methanone;hydrobromide
SMILESBr.O=C(c1ccccc1)N1C=CC=CC1
InChIInChI=1S/C12H11NO.BrH/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13;/h1-9H,10H2;1H
InChIKeyUSEACAGGSHHLKO-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.79
Rot. Bonds1

About phenyl(2H-pyridin-1-yl)methanone;hydrobromide

phenyl(2H-pyridin-1-yl)methanone;hydrobromide (PubChem CID 175122296) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is phenyl(2H-pyridin-1-yl)methanone;hydrobromide.

Molecular Properties

Compound Namephenyl(2H-pyridin-1-yl)methanone;hydrobromide
PubChem CID175122296
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Namephenyl(2H-pyridin-1-yl)methanone;hydrobromide
SMILESBr.O=C(c1ccccc1)N1C=CC=CC1
InChIInChI=1S/C12H11NO.BrH/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13;/h1-9H,10H2;1H
InChIKeyUSEACAGGSHHLKO-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenyl(2H-pyridin-1-yl)methanone;hydrobromide?
The IUPAC name of phenyl(2H-pyridin-1-yl)methanone;hydrobromide (CID 175122296) is phenyl(2H-pyridin-1-yl)methanone;hydrobromide.
What is the SMILES notation for phenyl(2H-pyridin-1-yl)methanone;hydrobromide?
The canonical SMILES for phenyl(2H-pyridin-1-yl)methanone;hydrobromide is Br.O=C(c1ccccc1)N1C=CC=CC1.
What is the InChIKey of phenyl(2H-pyridin-1-yl)methanone;hydrobromide?
The InChIKey is USEACAGGSHHLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO.BrH/c14-12(11-7-3-1-4-8-11)13-9-5-2-6-10-13;/h1-9H,10H2;1H.
What are the key properties of phenyl(2H-pyridin-1-yl)methanone;hydrobromide?
phenyl(2H-pyridin-1-yl)methanone;hydrobromide has a molecular weight of 266.14 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(2H-pyridin-1-yl)methanone;hydrobromide is sourced from PubChem (CID 175122296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).