(2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C17H15FN2O — CID 61292889

IUPAC(2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1ccnc(F)c1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C17H15FN2O/c18-16-12-15(6-9-19-16)17(21)20-10-7-14(8-11-20)13-4-2-1-3-5-13/h1-7,9,12H,8,10-11H2
InChIKeyOETBYBNHAOZNSI-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.15
Rot. Bonds2

About (2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 61292889) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is (2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID61292889
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name(2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(c1ccnc(F)c1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C17H15FN2O/c18-16-12-15(6-9-19-16)17(21)20-10-7-14(8-11-20)13-4-2-1-3-5-13/h1-7,9,12H,8,10-11H2
InChIKeyOETBYBNHAOZNSI-UHFFFAOYSA-N
XLogP3.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 61292889) is (2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1ccnc(F)c1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of (2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is OETBYBNHAOZNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c18-16-12-15(6-9-19-16)17(21)20-10-7-14(8-11-20)13-4-2-1-3-5-13/h1-7,9,12H,8,10-11H2.
What are the key properties of (2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 282.32 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 61292889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).