4-(4-fluorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile

C16H14FN3O — CID 1488775

IUPAC4-(4-fluorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)ccnc1N1CCOCC1
InChIInChI=1S/C16H14FN3O/c17-13-3-1-12(2-4-13)14-5-6-19-16(15(14)11-18)20-7-9-21-10-8-20/h1-6H,7-10H2
InChIKeyUPSAFUFPYLXOKM-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.60
Rot. Bonds2

About 4-(4-fluorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile

4-(4-fluorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile (PubChem CID 1488775) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile
PubChem CID1488775
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name4-(4-fluorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)ccnc1N1CCOCC1
InChIInChI=1S/C16H14FN3O/c17-13-3-1-12(2-4-13)14-5-6-19-16(15(14)11-18)20-7-9-21-10-8-20/h1-6H,7-10H2
InChIKeyUPSAFUFPYLXOKM-UHFFFAOYSA-N
XLogP2.60
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile (CID 1488775) is 4-(4-fluorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile is N#Cc1c(-c2ccc(F)cc2)ccnc1N1CCOCC1.
What is the InChIKey of 4-(4-fluorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile?
The InChIKey is UPSAFUFPYLXOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-13-3-1-12(2-4-13)14-5-6-19-16(15(14)11-18)20-7-9-21-10-8-20/h1-6H,7-10H2.
What are the key properties of 4-(4-fluorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile?
4-(4-fluorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile has a molecular weight of 283.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-morpholin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 1488775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).