4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile

C16H16FN3O — CID 107670268

IUPAC4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile
SMILESCCC(N)C(Oc1ccc(C#N)cc1F)c1ccccn1
InChIInChI=1S/C16H16FN3O/c1-2-13(19)16(14-5-3-4-8-20-14)21-15-7-6-11(10-18)9-12(15)17/h3-9,13,16H,2,19H2,1H3
InChIKeyVZAOPORFQUCSJB-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.95
Rot. Bonds5

About 4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile

4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile (PubChem CID 107670268) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile
PubChem CID107670268
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile
SMILESCCC(N)C(Oc1ccc(C#N)cc1F)c1ccccn1
InChIInChI=1S/C16H16FN3O/c1-2-13(19)16(14-5-3-4-8-20-14)21-15-7-6-11(10-18)9-12(15)17/h3-9,13,16H,2,19H2,1H3
InChIKeyVZAOPORFQUCSJB-UHFFFAOYSA-N
XLogP2.95
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-amino-1-(5-methylthiophen-2-yl)butoxy]-3-fluorobenzonitrile
CID 107670285
1-(3-ethoxyphenoxy)-1-pyridin-2-ylbutan-2-amine
CID 62338255
4-[2-(1-aminopropyl)phenoxy]-3-fluorobenzonitrile
CID 107665508
1-(2,2-difluoroethoxy)-1-pyridin-2-ylbutan-2-amine
CID 82005131
3-fluoro-4-(2-methylbutoxy)benzonitrile
CID 103792131
4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile
CID 117053031
1-(4-bromo-3-methylphenoxy)-1-pyridin-2-ylbutan-2-amine
CID 83133333
3,5-difluoro-4-[(1-pyridin-2-ylethylamino)methyl]benzonitrile
CID 107037642
1-(oxetan-3-yloxy)-1-pyridin-2-ylbutan-2-amine
CID 102605618
3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile
CID 103566567
1-(2-fluoro-5-methylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 64856151
1-(3,5-dimethylcyclohexyl)oxy-1-pyridin-2-ylbutan-2-amine
CID 64729371

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile?
The IUPAC name of 4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile (CID 107670268) is 4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile?
The canonical SMILES for 4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile is CCC(N)C(Oc1ccc(C#N)cc1F)c1ccccn1.
What is the InChIKey of 4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile?
The InChIKey is VZAOPORFQUCSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-2-13(19)16(14-5-3-4-8-20-14)21-15-7-6-11(10-18)9-12(15)17/h3-9,13,16H,2,19H2,1H3.
What are the key properties of 4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile?
4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile has a molecular weight of 285.32 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile is sourced from PubChem (CID 107670268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).