4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-methoxypyridine-3-carbonitrile

C17H16FN3O2 — CID 95455764

IUPAC4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(N2CCO[C@H](c3ccc(F)cc3)C2)c1C#N
InChIInChI=1S/C17H16FN3O2/c1-22-17-14(10-19)15(6-7-20-17)21-8-9-23-16(11-21)12-2-4-13(18)5-3-12/h2-7,16H,8-9,11H2,1H3/t16-/m0/s1
InChIKeyKKIHEGQJGZNHMT-INIZCTEOSA-N
MW313.33 g/mol
LogP2.68
Rot. Bonds3

About 4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-methoxypyridine-3-carbonitrile

4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-methoxypyridine-3-carbonitrile (PubChem CID 95455764) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-methoxypyridine-3-carbonitrile
PubChem CID95455764
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(N2CCO[C@H](c3ccc(F)cc3)C2)c1C#N
InChIInChI=1S/C17H16FN3O2/c1-22-17-14(10-19)15(6-7-20-17)21-8-9-23-16(11-21)12-2-4-13(18)5-3-12/h2-7,16H,8-9,11H2,1H3/t16-/m0/s1
InChIKeyKKIHEGQJGZNHMT-INIZCTEOSA-N
XLogP2.68
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-4-[(3R)-3-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 95716638
2-(3,4-dichlorophenyl)-4-(3-methoxypyrazin-2-yl)morpholine
CID 56871103
2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 87013885
2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile
CID 125129782
(2R)-2-(4-fluorophenyl)-4-methylmorpholine
CID 67355003
(2R)-4-(3-fluoro-4-pyridinyl)-2-(6-methoxynaphthalen-2-yl)morpholine
CID 95463748
2-fluoro-6-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile
CID 129005614
(2R)-4-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-fluorophenyl)phenyl]morpholine
CID 155405578
4-[(5S)-1,3-dioxo-2,7-diazaspiro[4.4]nonan-7-yl]-2-methoxypyridine-3-carbonitrile
CID 96577932
4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)morpholine
CID 56877170
2-methoxy-4-[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 95554065
4-chloro-5-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-phenylpyridazin-3-one
CID 36726677

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-methoxypyridine-3-carbonitrile (CID 95455764) is 4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-methoxypyridine-3-carbonitrile is COc1nccc(N2CCO[C@H](c3ccc(F)cc3)C2)c1C#N.
What is the InChIKey of 4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-methoxypyridine-3-carbonitrile?
The InChIKey is KKIHEGQJGZNHMT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-22-17-14(10-19)15(6-7-20-17)21-8-9-23-16(11-21)12-2-4-13(18)5-3-12/h2-7,16H,8-9,11H2,1H3/t16-/m0/s1.
What are the key properties of 4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-methoxypyridine-3-carbonitrile?
4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-methoxypyridine-3-carbonitrile has a molecular weight of 313.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 95455764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).