2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile

C15H14FN3O — CID 104536574

IUPAC2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile
SMILESCCCNc1cncc(Oc2cccc(F)c2C#N)c1
InChIInChI=1S/C15H14FN3O/c1-2-6-19-11-7-12(10-18-9-11)20-15-5-3-4-14(16)13(15)8-17/h3-5,7,9-10,19H,2,6H2,1H3
InChIKeyKPRGHTXNHXQDSD-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.71
Rot. Bonds5

About 2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile

2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile (PubChem CID 104536574) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile
PubChem CID104536574
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile
SMILESCCCNc1cncc(Oc2cccc(F)c2C#N)c1
InChIInChI=1S/C15H14FN3O/c1-2-6-19-11-7-12(10-18-9-11)20-15-5-3-4-14(16)13(15)8-17/h3-5,7,9-10,19H,2,6H2,1H3
InChIKeyKPRGHTXNHXQDSD-UHFFFAOYSA-N
XLogP3.71
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine
CID 104536354
5-(2,3-dichlorophenoxy)-N-propylpyridin-3-amine
CID 104536489
2-fluoro-6-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80875389
5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine
CID 107102609
N-propyl-5-quinolin-5-yloxypyridin-3-amine
CID 103046193
5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine
CID 104536558
2-(4-ethylphenoxy)-6-fluorobenzonitrile
CID 52855348
N-propyl-5-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 104536494
2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile
CID 104533044
5-(4-ethyl-2-methoxyphenoxy)-N-propylpyridin-3-amine
CID 107669663
5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine
CID 104536595
5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine
CID 104536852

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile?
The IUPAC name of 2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile (CID 104536574) is 2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile is CCCNc1cncc(Oc2cccc(F)c2C#N)c1.
What is the InChIKey of 2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile?
The InChIKey is KPRGHTXNHXQDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-2-6-19-11-7-12(10-18-9-11)20-15-5-3-4-14(16)13(15)8-17/h3-5,7,9-10,19H,2,6H2,1H3.
What are the key properties of 2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile?
2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile has a molecular weight of 271.30 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 104536574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).