(3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone

C15H13Br2NO — CID 113398277

IUPAC(3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2ncc(Br)cc2Br)cc1
InChIInChI=1S/C15H13Br2NO/c1-2-3-10-4-6-11(7-5-10)15(19)14-13(17)8-12(16)9-18-14/h4-9H,2-3H2,1H3
InChIKeyZDIAUOQYHSVRSQ-UHFFFAOYSA-N
MW383.08 g/mol
LogP4.79
Rot. Bonds4

About (3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone

(3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone (PubChem CID 113398277) has the molecular formula C15H13Br2NO and a molecular weight of 383.08 g/mol. Its IUPAC name is (3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone
PubChem CID113398277
Molecular FormulaC15H13Br2NO
Molecular Weight383.08 g/mol
Exact Mass380.94
IUPAC Name(3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2ncc(Br)cc2Br)cc1
InChIInChI=1S/C15H13Br2NO/c1-2-3-10-4-6-11(7-5-10)15(19)14-13(17)8-12(16)9-18-14/h4-9H,2-3H2,1H3
InChIKeyZDIAUOQYHSVRSQ-UHFFFAOYSA-N
XLogP4.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.08
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone?
The IUPAC name of (3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone (CID 113398277) is (3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone.
What is the SMILES notation for (3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone?
The canonical SMILES for (3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone is CCCc1ccc(C(=O)c2ncc(Br)cc2Br)cc1.
What is the InChIKey of (3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone?
The InChIKey is ZDIAUOQYHSVRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO/c1-2-3-10-4-6-11(7-5-10)15(19)14-13(17)8-12(16)9-18-14/h4-9H,2-3H2,1H3.
What are the key properties of (3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone?
(3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone has a molecular weight of 383.08 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone is sourced from PubChem (CID 113398277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).