2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide

C14H13Br2NO2 — CID 18510988

IUPAC2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide
SMILESBr.COc1ccc(C(Br)C(=O)c2ccncc2)cc1
InChIInChI=1S/C14H12BrNO2.BrH/c1-18-12-4-2-10(3-5-12)13(15)14(17)11-6-8-16-9-7-11;/h2-9,13H,1H3;1H
InChIKeyMCFCZHNJLBVCRS-UHFFFAOYSA-N
MW387.07 g/mol
LogP3.99
Rot. Bonds4

About 2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide

2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide (PubChem CID 18510988) has the molecular formula C14H13Br2NO2 and a molecular weight of 387.07 g/mol. Its IUPAC name is 2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide.

Molecular Properties

Compound Name2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide
PubChem CID18510988
Molecular FormulaC14H13Br2NO2
Molecular Weight387.07 g/mol
Exact Mass384.93
IUPAC Name2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide
SMILESBr.COc1ccc(C(Br)C(=O)c2ccncc2)cc1
InChIInChI=1S/C14H12BrNO2.BrH/c1-18-12-4-2-10(3-5-12)13(15)14(17)11-6-8-16-9-7-11;/h2-9,13H,1H3;1H
InChIKeyMCFCZHNJLBVCRS-UHFFFAOYSA-N
XLogP3.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-bromo-1,2-bis(4-methoxyphenyl)ethanone
CID 40529587
2-bromo-1-(4-chlorophenyl)-2-(4-methoxyphenyl)ethanone
CID 59486536
(2S)-2-bromo-1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 99640942
4-[1-bromo-2-(4-methoxyphenyl)-2-oxoethyl]benzenesulfonamide
CID 18756147
(2S)-2-bromo-1-(3,4-dimethoxyphenyl)-2-pyridin-4-ylethanone
CID 99647138
2,3-dibromo-1,3-bis(4-methoxyphenyl)propan-1-one
CID 10895225
methyl 2-bromo-2-(4-methoxyphenyl)acetate
CID 10753737
N-[1-(4-methoxyphenyl)-2-oxo-2-pyridin-4-ylethyl]cyclohexanecarboxamide
CID 102018874
(2R)-2-bromo-1-(3,5-dimethylphenyl)-2-pyridin-4-ylethanone
CID 98749698
2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone
CID 22282349
2-bromo-1-(3,4-dimethylphenyl)-2-pyridin-4-ylethanone;hydrobromide
CID 22282327
2-bromo-1-(3-methoxyphenyl)-2-pyridin-3-ylethanone;hydrobromide
CID 22282260

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide?
The IUPAC name of 2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide (CID 18510988) is 2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide.
What is the SMILES notation for 2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide?
The canonical SMILES for 2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide is Br.COc1ccc(C(Br)C(=O)c2ccncc2)cc1.
What is the InChIKey of 2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide?
The InChIKey is MCFCZHNJLBVCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2.BrH/c1-18-12-4-2-10(3-5-12)13(15)14(17)11-6-8-16-9-7-11;/h2-9,13H,1H3;1H.
What are the key properties of 2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide?
2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide has a molecular weight of 387.07 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide is sourced from PubChem (CID 18510988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).