1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one

C14H12BrNO2 — CID 112583808

IUPAC1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2cccc(Br)c2)cn1
InChIInChI=1S/C14H12BrNO2/c1-2-14(17)13-7-6-12(9-16-13)18-11-5-3-4-10(15)8-11/h3-9H,2H2,1H3
InChIKeyHMVRADSKYBWXCH-UHFFFAOYSA-N
MW306.16 g/mol
LogP4.23
Rot. Bonds4

About 1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one

1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one (PubChem CID 112583808) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one
PubChem CID112583808
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2cccc(Br)c2)cn1
InChIInChI=1S/C14H12BrNO2/c1-2-14(17)13-7-6-12(9-16-13)18-11-5-3-4-10(15)8-11/h3-9H,2H2,1H3
InChIKeyHMVRADSKYBWXCH-UHFFFAOYSA-N
XLogP4.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3,4-dichlorophenoxy)-2-pyridinyl]propan-1-one
CID 112583858
1-[5-(2-bromo-6-nitrophenoxy)-2-pyridinyl]propan-1-one
CID 115939129
2-(3-bromophenoxy)-5-methoxypyridine
CID 106503836
2-[(6-propanoyl-3-pyridinyl)oxy]benzoic acid
CID 115940898
1-[5-(3-bromophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83128091
1-[5-(2-chloro-6-nitrophenoxy)-2-pyridinyl]propan-1-one
CID 107717066
1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one
CID 115938973
[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone
CID 22494542
bis[4-(3-bromophenoxy)phenyl]methanone
CID 22494465
6-(3-bromophenoxy)pyridazine-3-carboxylic acid
CID 60790683
5-(4-bromophenoxy)pyridine-2-carboxylic acid
CID 23335277
ethyl 2-(3-bromophenoxy)pyridine-4-carboxylate
CID 169336832

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one (CID 112583808) is 1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one is CCC(=O)c1ccc(Oc2cccc(Br)c2)cn1.
What is the InChIKey of 1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one?
The InChIKey is HMVRADSKYBWXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-2-14(17)13-7-6-12(9-16-13)18-11-5-3-4-10(15)8-11/h3-9H,2H2,1H3.
What are the key properties of 1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one?
1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one has a molecular weight of 306.16 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromophenoxy)-2-pyridinyl]propan-1-one is sourced from PubChem (CID 112583808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).