1-(6-acetyl-4-chloro-2-pyridinyl)ethanone

C9H8ClNO2 — CID 10821768

IUPAC1-(6-acetyl-4-chloro-2-pyridinyl)ethanone
SMILESCC(=O)c1cc(Cl)cc(C(C)=O)n1
InChIInChI=1S/C9H8ClNO2/c1-5(12)8-3-7(10)4-9(11-8)6(2)13/h3-4H,1-2H3
InChIKeyHVWKKCHGZJFEQD-UHFFFAOYSA-N
MW197.62 g/mol
LogP2.14
Rot. Bonds2

About 1-(6-acetyl-4-chloro-2-pyridinyl)ethanone

1-(6-acetyl-4-chloro-2-pyridinyl)ethanone (PubChem CID 10821768) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 1-(6-acetyl-4-chloro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(6-acetyl-4-chloro-2-pyridinyl)ethanone
PubChem CID10821768
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name1-(6-acetyl-4-chloro-2-pyridinyl)ethanone
SMILESCC(=O)c1cc(Cl)cc(C(C)=O)n1
InChIInChI=1S/C9H8ClNO2/c1-5(12)8-3-7(10)4-9(11-8)6(2)13/h3-4H,1-2H3
InChIKeyHVWKKCHGZJFEQD-UHFFFAOYSA-N
XLogP2.14
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-acetyl-4-chloro-2-pyridinyl)ethanone?
The IUPAC name of 1-(6-acetyl-4-chloro-2-pyridinyl)ethanone (CID 10821768) is 1-(6-acetyl-4-chloro-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(6-acetyl-4-chloro-2-pyridinyl)ethanone?
The canonical SMILES for 1-(6-acetyl-4-chloro-2-pyridinyl)ethanone is CC(=O)c1cc(Cl)cc(C(C)=O)n1.
What is the InChIKey of 1-(6-acetyl-4-chloro-2-pyridinyl)ethanone?
The InChIKey is HVWKKCHGZJFEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c1-5(12)8-3-7(10)4-9(11-8)6(2)13/h3-4H,1-2H3.
What are the key properties of 1-(6-acetyl-4-chloro-2-pyridinyl)ethanone?
1-(6-acetyl-4-chloro-2-pyridinyl)ethanone has a molecular weight of 197.62 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-acetyl-4-chloro-2-pyridinyl)ethanone is sourced from PubChem (CID 10821768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).