2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone

C17H12BrNO — CID 22282349

IUPAC2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone
SMILESO=C(c1ccc2ccccc2c1)C(Br)c1ccncc1
InChIInChI=1S/C17H12BrNO/c18-16(13-7-9-19-10-8-13)17(20)15-6-5-12-3-1-2-4-14(12)11-15/h1-11,16H
InChIKeyDHQXYUNSDARFLG-UHFFFAOYSA-N
MW326.19 g/mol
LogP4.55
Rot. Bonds3

About 2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone

2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone (PubChem CID 22282349) has the molecular formula C17H12BrNO and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone
PubChem CID22282349
Molecular FormulaC17H12BrNO
Molecular Weight326.19 g/mol
Exact Mass325.01
IUPAC Name2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone
SMILESO=C(c1ccc2ccccc2c1)C(Br)c1ccncc1
InChIInChI=1S/C17H12BrNO/c18-16(13-7-9-19-10-8-13)17(20)15-6-5-12-3-1-2-4-14(12)11-15/h1-11,16H
InChIKeyDHQXYUNSDARFLG-UHFFFAOYSA-N
XLogP4.55
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 54.55
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
4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid
CID 22185202
2-bromo-1-(3,4-dimethylphenyl)-2-pyridin-4-ylethanone;hydrobromide
CID 22282327
(2S)-2-bromo-1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 99640942
(2R)-2-bromo-1-(3,5-dimethylphenyl)-2-pyridin-4-ylethanone
CID 98749698
(2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone
CID 99717827
2-bromo-2-(4-methoxyphenyl)-1-pyridin-4-ylethanone;hydrobromide
CID 18510988
2,3-bis(4-bromophenyl)-1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 102318712
2-bromo-1-(2-chlorophenyl)-2-pyridin-4-ylethanone;hydrobromide
CID 11246306
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
2-amino-1-naphthalen-2-yl-2-phenylethanone
CID 116551211
(2S)-2-bromo-1-naphthalen-2-ylpentan-1-one
CID 86328422

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone?
The IUPAC name of 2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone (CID 22282349) is 2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone.
What is the SMILES notation for 2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone?
The canonical SMILES for 2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone is O=C(c1ccc2ccccc2c1)C(Br)c1ccncc1.
What is the InChIKey of 2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone?
The InChIKey is DHQXYUNSDARFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO/c18-16(13-7-9-19-10-8-13)17(20)15-6-5-12-3-1-2-4-14(12)11-15/h1-11,16H.
What are the key properties of 2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone?
2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone has a molecular weight of 326.19 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-naphthalen-2-yl-2-pyridin-4-ylethanone is sourced from PubChem (CID 22282349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).