1-[4-(5-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-fluorophenyl)ethanone

C18H16ClFN2O — CID 25056926

IUPAC1-[4-(5-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CC=C(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C18H16ClFN2O/c19-15-3-6-17(21-12-15)14-7-9-22(10-8-14)18(23)11-13-1-4-16(20)5-2-13/h1-7,12H,8-11H2
InChIKeyYRSGIEHISIAZDA-UHFFFAOYSA-N
MW330.79 g/mol
LogP3.73
Rot. Bonds3

About 1-[4-(5-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-fluorophenyl)ethanone

1-[4-(5-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 25056926) has the molecular formula C18H16ClFN2O and a molecular weight of 330.79 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(5-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID25056926
Molecular FormulaC18H16ClFN2O
Molecular Weight330.79 g/mol
Exact Mass330.09
IUPAC Name1-[4-(5-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CC=C(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C18H16ClFN2O/c19-15-3-6-17(21-12-15)14-7-9-22(10-8-14)18(23)11-13-1-4-16(20)5-2-13/h1-7,12H,8-11H2
InChIKeyYRSGIEHISIAZDA-UHFFFAOYSA-N
XLogP3.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(5-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-fluorophenyl)ethanone (CID 25056926) is 1-[4-(5-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(5-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(5-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CC=C(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-[4-(5-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is YRSGIEHISIAZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O/c19-15-3-6-17(21-12-15)14-7-9-22(10-8-14)18(23)11-13-1-4-16(20)5-2-13/h1-7,12H,8-11H2.
What are the key properties of 1-[4-(5-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[4-(5-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 330.79 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 25056926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).