1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone

C14H12BrNO2 — CID 82827387

IUPAC1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone
SMILESCC(=O)c1ccnc(OCc2ccc(Br)cc2)c1
InChIInChI=1S/C14H12BrNO2/c1-10(17)12-6-7-16-14(8-12)18-9-11-2-4-13(15)5-3-11/h2-8H,9H2,1H3
InChIKeyDIJUXVMDWQSMNJ-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.63
Rot. Bonds4

About 1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone

1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone (PubChem CID 82827387) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone
PubChem CID82827387
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone
SMILESCC(=O)c1ccnc(OCc2ccc(Br)cc2)c1
InChIInChI=1S/C14H12BrNO2/c1-10(17)12-6-7-16-14(8-12)18-9-11-2-4-13(15)5-3-11/h2-8H,9H2,1H3
InChIKeyDIJUXVMDWQSMNJ-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-bromo-2-methylphenoxy)-4-pyridinyl]ethanone
CID 107284744
N-ethyl-2-phenylmethoxypyridine-4-carboxamide
CID 47366269
N-methoxy-2-phenylmethoxypyridine-4-carboxamide
CID 47366546
N-[[2-[(4-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-1-amine
CID 82831459
(4-bromophenyl)methyl pyridine-4-carboxylate
CID 1094796
N-(2-hydroxyethyl)-N-methyl-2-phenylmethoxypyridine-4-carboxamide
CID 110902872
N'-(3,4-dimethoxybenzoyl)-2-phenylmethoxypyridine-4-carbohydrazide
CID 55996835
methyl 2-[5-[(4-bromophenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
CID 86725564
1-[4-[(4-bromophenyl)methoxy]-2-iodophenyl]ethanone
CID 91863632
1-[4-[(4-bromophenyl)methoxy]-2-ethylphenyl]ethanone
CID 91864406
1-[4-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]phenyl]ethanone
CID 67759076
4-[(4-bromo-2-pyridinyl)oxymethyl]benzonitrile
CID 177255631

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone?
The IUPAC name of 1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone (CID 82827387) is 1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone?
The canonical SMILES for 1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone is CC(=O)c1ccnc(OCc2ccc(Br)cc2)c1.
What is the InChIKey of 1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone?
The InChIKey is DIJUXVMDWQSMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c1-10(17)12-6-7-16-14(8-12)18-9-11-2-4-13(15)5-3-11/h2-8H,9H2,1H3.
What are the key properties of 1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone?
1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone has a molecular weight of 306.16 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromophenyl)methoxy]-4-pyridinyl]ethanone is sourced from PubChem (CID 82827387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).