1-(4-chloro-2-pyridinyl)propan-2-one

C8H8ClNO — CID 68541993

IUPAC1-(4-chloro-2-pyridinyl)propan-2-one
SMILESCC(=O)Cc1cc(Cl)ccn1
InChIInChI=1S/C8H8ClNO/c1-6(11)4-8-5-7(9)2-3-10-8/h2-3,5H,4H2,1H3
InChIKeyHPDASAMJVLAZMW-UHFFFAOYSA-N
MW169.61 g/mol
LogP1.87
Rot. Bonds2

About 1-(4-chloro-2-pyridinyl)propan-2-one

1-(4-chloro-2-pyridinyl)propan-2-one (PubChem CID 68541993) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 1-(4-chloro-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-2-pyridinyl)propan-2-one
PubChem CID68541993
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name1-(4-chloro-2-pyridinyl)propan-2-one
SMILESCC(=O)Cc1cc(Cl)ccn1
InChIInChI=1S/C8H8ClNO/c1-6(11)4-8-5-7(9)2-3-10-8/h2-3,5H,4H2,1H3
InChIKeyHPDASAMJVLAZMW-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-pyridinyl)propan-2-one?
The IUPAC name of 1-(4-chloro-2-pyridinyl)propan-2-one (CID 68541993) is 1-(4-chloro-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(4-chloro-2-pyridinyl)propan-2-one?
The canonical SMILES for 1-(4-chloro-2-pyridinyl)propan-2-one is CC(=O)Cc1cc(Cl)ccn1.
What is the InChIKey of 1-(4-chloro-2-pyridinyl)propan-2-one?
The InChIKey is HPDASAMJVLAZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-6(11)4-8-5-7(9)2-3-10-8/h2-3,5H,4H2,1H3.
What are the key properties of 1-(4-chloro-2-pyridinyl)propan-2-one?
1-(4-chloro-2-pyridinyl)propan-2-one has a molecular weight of 169.61 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-pyridinyl)propan-2-one is sourced from PubChem (CID 68541993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).