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

C14H13Br2NO — CID 11303227

IUPAC2-bromo-1-(2-methylphenyl)-2-pyridin-4-ylethanone;hydrobromide
SMILESBr.Cc1ccccc1C(=O)C(Br)c1ccncc1
InChIInChI=1S/C14H12BrNO.BrH/c1-10-4-2-3-5-12(10)14(17)13(15)11-6-8-16-9-7-11;/h2-9,13H,1H3;1H
InChIKeyNNAUSAPIXDFUOX-UHFFFAOYSA-N
MW371.07 g/mol
LogP4.29
Rot. Bonds3

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

2-bromo-1-(2-methylphenyl)-2-pyridin-4-ylethanone;hydrobromide (PubChem CID 11303227) has the molecular formula C14H13Br2NO and a molecular weight of 371.07 g/mol. Its IUPAC name is 2-bromo-1-(2-methylphenyl)-2-pyridin-4-ylethanone;hydrobromide.

Molecular Properties

Compound Name2-bromo-1-(2-methylphenyl)-2-pyridin-4-ylethanone;hydrobromide
PubChem CID11303227
Molecular FormulaC14H13Br2NO
Molecular Weight371.07 g/mol
Exact Mass368.94
IUPAC Name2-bromo-1-(2-methylphenyl)-2-pyridin-4-ylethanone;hydrobromide
SMILESBr.Cc1ccccc1C(=O)C(Br)c1ccncc1
InChIInChI=1S/C14H12BrNO.BrH/c1-10-4-2-3-5-12(10)14(17)13(15)11-6-8-16-9-7-11;/h2-9,13H,1H3;1H
InChIKeyNNAUSAPIXDFUOX-UHFFFAOYSA-N
XLogP4.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(2-chlorophenyl)-2-pyridin-4-ylethanone;hydrobromide
CID 11246306
2-bromo-1-(3,4-dimethylphenyl)-2-pyridin-4-ylethanone;hydrobromide
CID 22282327
2-methyl-N-[(1R,2S)-2-[(2-methylbenzoyl)amino]-1,2-dipyridin-4-ylethyl]benzamide
CID 76971075
(2R)-2-bromo-1-(3,5-dimethylphenyl)-2-pyridin-4-ylethanone
CID 98749698
(2-methylphenyl)-pyridin-4-ylmethanone
CID 19957162
2-bromo-1-(2-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 143364399
2-methyl-N-(1-pyridin-4-ylpropyl)benzamide
CID 122142222
2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone
CID 22282349
2-bromo-1-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone
CID 22282239
(2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone
CID 99717827
(2S)-2-bromo-1-(4-butylphenyl)-2-pyridin-4-ylethanone
CID 99717814
3-(2-methylphenyl)-3-oxo-2-phenylpropanamide
CID 174882127

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-methylphenyl)-2-pyridin-4-ylethanone;hydrobromide?
The IUPAC name of 2-bromo-1-(2-methylphenyl)-2-pyridin-4-ylethanone;hydrobromide (CID 11303227) is 2-bromo-1-(2-methylphenyl)-2-pyridin-4-ylethanone;hydrobromide.
What is the SMILES notation for 2-bromo-1-(2-methylphenyl)-2-pyridin-4-ylethanone;hydrobromide?
The canonical SMILES for 2-bromo-1-(2-methylphenyl)-2-pyridin-4-ylethanone;hydrobromide is Br.Cc1ccccc1C(=O)C(Br)c1ccncc1.
What is the InChIKey of 2-bromo-1-(2-methylphenyl)-2-pyridin-4-ylethanone;hydrobromide?
The InChIKey is NNAUSAPIXDFUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO.BrH/c1-10-4-2-3-5-12(10)14(17)13(15)11-6-8-16-9-7-11;/h2-9,13H,1H3;1H.
What are the key properties of 2-bromo-1-(2-methylphenyl)-2-pyridin-4-ylethanone;hydrobromide?
2-bromo-1-(2-methylphenyl)-2-pyridin-4-ylethanone;hydrobromide has a molecular weight of 371.07 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-methylphenyl)-2-pyridin-4-ylethanone;hydrobromide is sourced from PubChem (CID 11303227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).