(5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone

C15H14FNO3 — CID 105128321

IUPAC(5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1cncc(F)c1
InChIInChI=1S/C15H14FNO3/c1-19-6-7-20-14-5-3-2-4-13(14)15(18)11-8-12(16)10-17-9-11/h2-5,8-10H,6-7H2,1H3
InChIKeyLIYGLRXCHWRYHV-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.48
Rot. Bonds6

About (5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone

(5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone (PubChem CID 105128321) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
PubChem CID105128321
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name(5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
SMILESCOCCOc1ccccc1C(=O)c1cncc(F)c1
InChIInChI=1S/C15H14FNO3/c1-19-6-7-20-14-5-3-2-4-13(14)15(18)11-8-12(16)10-17-9-11/h2-5,8-10H,6-7H2,1H3
InChIKeyLIYGLRXCHWRYHV-UHFFFAOYSA-N
XLogP2.48
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659113
(2,6-dimethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107502643
(2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659443
[2-(2-methoxyethoxy)phenyl]-(6-methyl-3-pyridinyl)methanone
CID 105128294
(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107977350
(5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methanone
CID 114963550
(3-iodophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799933
(3-fluoro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659417
N'-(4-fluorobenzoyl)-2-(2-methoxyethoxy)benzohydrazide
CID 86827465
(3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659439
[2-(2-methoxyethoxy)phenyl]-(4-methyl-2-pyridinyl)methanone
CID 104659250
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 115799973

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The IUPAC name of (5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone (CID 105128321) is (5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The canonical SMILES for (5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone is COCCOc1ccccc1C(=O)c1cncc(F)c1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone?
The InChIKey is LIYGLRXCHWRYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-19-6-7-20-14-5-3-2-4-13(14)15(18)11-8-12(16)10-17-9-11/h2-5,8-10H,6-7H2,1H3.
What are the key properties of (5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone?
(5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone has a molecular weight of 275.28 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone is sourced from PubChem (CID 105128321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).