(2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone

C15H14BrNO — CID 99717827

IUPAC(2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone
SMILESCCc1cccc(C(=O)[C@H](Br)c2ccncc2)c1
InChIInChI=1S/C15H14BrNO/c1-2-11-4-3-5-13(10-11)15(18)14(16)12-6-8-17-9-7-12/h3-10,14H,2H2,1H3/t14-/m1/s1
InChIKeyNLVXTMSVRWJGOB-CQSZACIVSA-N
MW304.19 g/mol
LogP3.96
Rot. Bonds4

About (2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone

(2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone (PubChem CID 99717827) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is (2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name(2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone
PubChem CID99717827
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name(2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone
SMILESCCc1cccc(C(=O)[C@H](Br)c2ccncc2)c1
InChIInChI=1S/C15H14BrNO/c1-2-11-4-3-5-13(10-11)15(18)14(16)12-6-8-17-9-7-12/h3-10,14H,2H2,1H3/t14-/m1/s1
InChIKeyNLVXTMSVRWJGOB-CQSZACIVSA-N
XLogP3.96
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.96
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-(3-propan-2-ylphenyl)-2-pyridin-4-ylethanone
CID 22282239
(2S)-2-bromo-1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 99640942
2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone
CID 21460946
(2R)-2-bromo-1-(3,5-dimethylphenyl)-2-pyridin-4-ylethanone
CID 98749698
2-bromo-1-(3,4-dimethylphenyl)-2-pyridin-4-ylethanone;hydrobromide
CID 22282327
2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone
CID 22282349
(2S)-2-bromo-1-(4-butylphenyl)-2-pyridin-4-ylethanone
CID 99717814
2-amino-1-(3-ethylphenyl)propan-1-one
CID 57124216
2-amino-1-(3-ethylphenyl)-2-phenylethanone
CID 116551226
3-amino-1-(3-ethylphenyl)-2-methylbutan-1-one
CID 116612270
4-[1-(3-ethylphenoxy)ethyl]pyridine
CID 70911027
3-ethylbenzoic acid;propane
CID 177324794

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone?
The IUPAC name of (2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone (CID 99717827) is (2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone.
What is the SMILES notation for (2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone?
The canonical SMILES for (2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone is CCc1cccc(C(=O)[C@H](Br)c2ccncc2)c1.
What is the InChIKey of (2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone?
The InChIKey is NLVXTMSVRWJGOB-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-2-11-4-3-5-13(10-11)15(18)14(16)12-6-8-17-9-7-12/h3-10,14H,2H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone?
(2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone has a molecular weight of 304.19 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 99717827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).