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

C8H8ClNO — CID 67986834

IUPAC1-(3-chloro-2-pyridinyl)propan-1-one
SMILESCCC(=O)c1ncccc1Cl
InChIInChI=1S/C8H8ClNO/c1-2-7(11)8-6(9)4-3-5-10-8/h3-5H,2H2,1H3
InChIKeyNZMMKYQPYUSDCW-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.33
Rot. Bonds2

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

1-(3-chloro-2-pyridinyl)propan-1-one (PubChem CID 67986834) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)propan-1-one
PubChem CID67986834
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name1-(3-chloro-2-pyridinyl)propan-1-one
SMILESCCC(=O)c1ncccc1Cl
InChIInChI=1S/C8H8ClNO/c1-2-7(11)8-6(9)4-3-5-10-8/h3-5H,2H2,1H3
InChIKeyNZMMKYQPYUSDCW-UHFFFAOYSA-N
XLogP2.33
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

diazanium;3-chloropyridine-2-carboxylate;ethanolate
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2-(2-amino-3-pyridinyl)-1-(3-chloro-2-pyridinyl)ethanone
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1-(3-ethylsulfanyl-2-pyridinyl)propan-1-one
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1-[3-(disulfanyl)-2-pyridinyl]propan-1-one
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(2-chlorophenyl)-(3-chloro-2-pyridinyl)methanone
CID 103443193
1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione
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(3-chloro-2-pyridinyl)-(3,5-dimethylphenyl)methanone
CID 103443191
2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730026
3-chloro-N'-propylpyridine-2-carboximidamide
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3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 175833514

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)propan-1-one?
The IUPAC name of 1-(3-chloro-2-pyridinyl)propan-1-one (CID 67986834) is 1-(3-chloro-2-pyridinyl)propan-1-one.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)propan-1-one?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)propan-1-one is CCC(=O)c1ncccc1Cl.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)propan-1-one?
The InChIKey is NZMMKYQPYUSDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-2-7(11)8-6(9)4-3-5-10-8/h3-5H,2H2,1H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)propan-1-one?
1-(3-chloro-2-pyridinyl)propan-1-one has a molecular weight of 169.61 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)propan-1-one is sourced from PubChem (CID 67986834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).