1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one

C8H7BrClNO — CID 174823193

IUPAC1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one
SMILESCCC(=O)c1ncc(Br)cc1Cl
InChIInChI=1S/C8H7BrClNO/c1-2-7(12)8-6(10)3-5(9)4-11-8/h3-4H,2H2,1H3
InChIKeyDDVFNBHJTQJHTB-UHFFFAOYSA-N
MW248.51 g/mol
LogP3.09
Rot. Bonds2

About 1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one

1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one (PubChem CID 174823193) has the molecular formula C8H7BrClNO and a molecular weight of 248.51 g/mol. Its IUPAC name is 1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one
PubChem CID174823193
Molecular FormulaC8H7BrClNO
Molecular Weight248.51 g/mol
Exact Mass246.94
IUPAC Name1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one
SMILESCCC(=O)c1ncc(Br)cc1Cl
InChIInChI=1S/C8H7BrClNO/c1-2-7(12)8-6(10)3-5(9)4-11-8/h3-4H,2H2,1H3
InChIKeyDDVFNBHJTQJHTB-UHFFFAOYSA-N
XLogP3.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.51
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-chloro-N-ethylpyridine-2-carboxamide
CID 155923575
5-bromo-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 70896660
5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 155923574
5-bromo-3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 155923576
2-(4-bromo-2-chlorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanone
CID 113471210
1-(3,5-dichloro-2-pyridinyl)decan-1-one
CID 79786254
1-(3-chloro-2-pyridinyl)propan-1-one
CID 67986834
2-(5-bromo-3-chloro-2-pyridinyl)butanoic acid
CID 103584278
1-(3,5-dichloro-2-pyridinyl)pentane-1,4-dione
CID 165000552
5-bromo-3-chloro-2-ethoxypyridine
CID 71303680
(5-bromo-3-chloro-2-pyridinyl) ethanesulfonate
CID 118080132
4-(3,5-dichloro-2-pyridinyl)-4-oxobutanoic acid
CID 79780666

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one?
The IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one (CID 174823193) is 1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one.
What is the SMILES notation for 1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one?
The canonical SMILES for 1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one is CCC(=O)c1ncc(Br)cc1Cl.
What is the InChIKey of 1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one?
The InChIKey is DDVFNBHJTQJHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO/c1-2-7(12)8-6(10)3-5(9)4-11-8/h3-4H,2H2,1H3.
What are the key properties of 1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one?
1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one has a molecular weight of 248.51 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-chloro-2-pyridinyl)propan-1-one is sourced from PubChem (CID 174823193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).