(2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone

C15H13Br2NO2 — CID 115794141

IUPAC(2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-2-5-20-12-6-10(8-18-9-12)15(19)13-7-11(16)3-4-14(13)17/h3-4,6-9H,2,5H2,1H3
InChIKeyOBHPJIBNNAGAGG-UHFFFAOYSA-N
MW399.08 g/mol
LogP4.63
Rot. Bonds5

About (2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone

(2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone (PubChem CID 115794141) has the molecular formula C15H13Br2NO2 and a molecular weight of 399.08 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone
PubChem CID115794141
Molecular FormulaC15H13Br2NO2
Molecular Weight399.08 g/mol
Exact Mass396.93
IUPAC Name(2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone
SMILESCCCOc1cncc(C(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C15H13Br2NO2/c1-2-5-20-12-6-10(8-18-9-12)15(19)13-7-11(16)3-4-14(13)17/h3-4,6-9H,2,5H2,1H3
InChIKeyOBHPJIBNNAGAGG-UHFFFAOYSA-N
XLogP4.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.08
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-5-bromophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 82703850
(2-bromo-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 107996584
(3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 113398222
(2,3-dichlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115793950
(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 114885218
(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
CID 107944442
(4-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794168
(2-amino-5-bromophenyl)-(4-propoxyphenyl)methanone
CID 82704223
(5-methylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methanone
CID 115794116
(3-amino-4-chlorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 116552207
(2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785475
(4-fluoro-3-methoxyphenyl)-(5-propoxy-3-pyridinyl)methanone
CID 115794189

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone?
The IUPAC name of (2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone (CID 115794141) is (2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone.
What is the SMILES notation for (2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone?
The canonical SMILES for (2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone is CCCOc1cncc(C(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of (2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone?
The InChIKey is OBHPJIBNNAGAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NO2/c1-2-5-20-12-6-10(8-18-9-12)15(19)13-7-11(16)3-4-14(13)17/h3-4,6-9H,2,5H2,1H3.
What are the key properties of (2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone?
(2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone has a molecular weight of 399.08 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(5-propoxy-3-pyridinyl)methanone is sourced from PubChem (CID 115794141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).