2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile

C15H14FN3O2 — CID 43609046

IUPAC2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OCCCn1cc(N)ccc1=O
InChIInChI=1S/C15H14FN3O2/c16-13-3-1-4-14(12(13)9-17)21-8-2-7-19-10-11(18)5-6-15(19)20/h1,3-6,10H,2,7-8,18H2
InChIKeyMTGQLRAFCDCRTG-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.91
Rot. Bonds5

About 2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile

2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile (PubChem CID 43609046) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile
PubChem CID43609046
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OCCCn1cc(N)ccc1=O
InChIInChI=1S/C15H14FN3O2/c16-13-3-1-4-14(12(13)9-17)21-8-2-7-19-10-11(18)5-6-15(19)20/h1,3-6,10H,2,7-8,18H2
InChIKeyMTGQLRAFCDCRTG-UHFFFAOYSA-N
XLogP1.91
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-[3-(3-fluorophenoxy)propyl]pyridin-2-one
CID 43259980
2-fluoro-6-(4-methoxybutoxy)benzonitrile
CID 115777027
5-amino-1-(3-aminopropyl)pyridin-2-one
CID 82503026
2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile
CID 69356263
2-but-3-ynoxy-6-fluorobenzonitrile
CID 63656850
2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile
CID 99831528
5-amino-1-[3-(4-bromo-2,5-dichlorophenoxy)propyl]pyridin-2-one
CID 107656019
5-amino-1-[3-(2-chloro-5-methylphenoxy)propyl]pyridin-2-one
CID 43260232
2-(3,3-dimethylbutoxy)-6-fluorobenzonitrile
CID 79513134
5-amino-1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propyl]pyridin-2-one
CID 102721710
2-[2-(4-aminophenyl)-2-hydroxyethoxy]-6-fluorobenzonitrile
CID 62266985
5-amino-1-(2-quinolin-5-yloxyethyl)pyridin-2-one
CID 103044201

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile?
The IUPAC name of 2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile (CID 43609046) is 2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile?
The canonical SMILES for 2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile is N#Cc1c(F)cccc1OCCCn1cc(N)ccc1=O.
What is the InChIKey of 2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile?
The InChIKey is MTGQLRAFCDCRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-13-3-1-4-14(12(13)9-17)21-8-2-7-19-10-11(18)5-6-15(19)20/h1,3-6,10H,2,7-8,18H2.
What are the key properties of 2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile?
2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile has a molecular weight of 287.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile is sourced from PubChem (CID 43609046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).