2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride

C7H6BrCl2NO — CID 86346491

IUPAC2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride
SMILESCl.O=C(CBr)c1ccc(Cl)cn1
InChIInChI=1S/C7H5BrClNO.ClH/c8-3-7(11)6-2-1-5(9)4-10-6;/h1-2,4H,3H2;1H
InChIKeyCDAZFDDZYUIQQJ-UHFFFAOYSA-N
MW270.94 g/mol
LogP2.73
Rot. Bonds2

About 2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride

2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride (PubChem CID 86346491) has the molecular formula C7H6BrCl2NO and a molecular weight of 270.94 g/mol. Its IUPAC name is 2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride
PubChem CID86346491
Molecular FormulaC7H6BrCl2NO
Molecular Weight270.94 g/mol
Exact Mass268.90
IUPAC Name2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride
SMILESCl.O=C(CBr)c1ccc(Cl)cn1
InChIInChI=1S/C7H5BrClNO.ClH/c8-3-7(11)6-2-1-5(9)4-10-6;/h1-2,4H,3H2;1H
InChIKeyCDAZFDDZYUIQQJ-UHFFFAOYSA-N
XLogP2.73
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.94
LogP ≤ 52.73
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

6-(2-bromoacetyl)pyridine-3-carbonitrile
CID 58497180
1-(5-chloro-2-pyridinyl)-2-(1,2,5-thiadiazol-3-yl)ethanone
CID 130943487
1-(5-chloro-2-pyridinyl)butane-1,2-dione
CID 177314463
2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-pyridinyl)ethanone
CID 102617766
N-(2-bromoethyl)-5-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 80666299
methyl 5-chloropyridine-2-carboxylate
CID 11298216
N-(3-bromopropyl)-5-chloro-N-cyclobutylpyridine-2-carboxamide
CID 102872235
[3-(bromomethyl)pyrrolidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 80668297
1-(5-chloro-2-pyridinyl)-2-quinolin-4-ylethanone
CID 11140584
5-chloro-N-ethyl-N-methylpyridine-2-carboxamide
CID 126994087
N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide
CID 114315736
1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347317

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride?
The IUPAC name of 2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride (CID 86346491) is 2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride.
What is the SMILES notation for 2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride?
The canonical SMILES for 2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride is Cl.O=C(CBr)c1ccc(Cl)cn1.
What is the InChIKey of 2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride?
The InChIKey is CDAZFDDZYUIQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNO.ClH/c8-3-7(11)6-2-1-5(9)4-10-6;/h1-2,4H,3H2;1H.
What are the key properties of 2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride?
2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride has a molecular weight of 270.94 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(5-chloro-2-pyridinyl)ethanone;hydrochloride is sourced from PubChem (CID 86346491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).