2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile

C17H16FN3O — CID 133330522

IUPAC2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile
SMILESCC1CN(c2ncccc2C#N)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C17H16FN3O/c1-12-10-21(17-14(9-19)3-2-8-20-17)11-16(22-12)13-4-6-15(18)7-5-13/h2-8,12,16H,10-11H2,1H3
InChIKeyOKGPJYYNNDRTFH-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.06
Rot. Bonds2

About 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile

2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile (PubChem CID 133330522) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile
PubChem CID133330522
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile
SMILESCC1CN(c2ncccc2C#N)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C17H16FN3O/c1-12-10-21(17-14(9-19)3-2-8-20-17)11-16(22-12)13-4-6-15(18)7-5-13/h2-8,12,16H,10-11H2,1H3
InChIKeyOKGPJYYNNDRTFH-UHFFFAOYSA-N
XLogP3.06
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-6-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine
CID 133330469
4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine
CID 133330399
2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile
CID 133330519
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126892911
2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 58826334
(2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 100687721
2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole
CID 133330508
2-(3-piperazin-1-ylazetidin-1-yl)pyridine-3-carbonitrile
CID 66195251
4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine
CID 133330542
5,6-dimethyl-3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridazine-4-carbonitrile
CID 100841358
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 133330520

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile (CID 133330522) is 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile is CC1CN(c2ncccc2C#N)CC(c2ccc(F)cc2)O1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile?
The InChIKey is OKGPJYYNNDRTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-12-10-21(17-14(9-19)3-2-8-20-17)11-16(22-12)13-4-6-15(18)7-5-13/h2-8,12,16H,10-11H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile?
2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile has a molecular weight of 297.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 133330522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).