(4-fluorophenyl)-pyridin-4-ylmethanone

C12H8FNO — CID 7023019

IUPAC(4-fluorophenyl)-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C12H8FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H
InChIKeyWTRWBYGUMQEFFI-UHFFFAOYSA-N
MW201.20 g/mol
LogP2.45
Rot. Bonds2

About (4-fluorophenyl)-pyridin-4-ylmethanone

(4-fluorophenyl)-pyridin-4-ylmethanone (PubChem CID 7023019) has the molecular formula C12H8FNO and a molecular weight of 201.20 g/mol. Its IUPAC name is (4-fluorophenyl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(4-fluorophenyl)-pyridin-4-ylmethanone
PubChem CID7023019
Molecular FormulaC12H8FNO
Molecular Weight201.20 g/mol
Exact Mass201.06
IUPAC Name(4-fluorophenyl)-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C12H8FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H
InChIKeyWTRWBYGUMQEFFI-UHFFFAOYSA-N
XLogP2.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-pyridin-4-ylmethanone?
The IUPAC name of (4-fluorophenyl)-pyridin-4-ylmethanone (CID 7023019) is (4-fluorophenyl)-pyridin-4-ylmethanone.
What is the SMILES notation for (4-fluorophenyl)-pyridin-4-ylmethanone?
The canonical SMILES for (4-fluorophenyl)-pyridin-4-ylmethanone is O=C(c1ccncc1)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-pyridin-4-ylmethanone?
The InChIKey is WTRWBYGUMQEFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H.
What are the key properties of (4-fluorophenyl)-pyridin-4-ylmethanone?
(4-fluorophenyl)-pyridin-4-ylmethanone has a molecular weight of 201.20 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-pyridin-4-ylmethanone is sourced from PubChem (CID 7023019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).