[(2S,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone

C14H16ClF2N3O2 — CID 120929174

IUPAC[(2S,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@@H](F)CN1c1ncc(Cl)cc1F)N1CCOCC1
InChIInChI=1S/C14H16ClF2N3O2/c15-9-5-11(17)13(18-7-9)20-8-10(16)6-12(20)14(21)19-1-3-22-4-2-19/h5,7,10,12H,1-4,6,8H2/t10-,12+/m1/s1
InChIKeyKDGNKIVUAXUSNL-PWSUYJOCSA-N
MW331.75 g/mol
LogP1.65
Rot. Bonds2

About [(2S,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 120929174) has the molecular formula C14H16ClF2N3O2 and a molecular weight of 331.75 g/mol. Its IUPAC name is [(2S,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID120929174
Molecular FormulaC14H16ClF2N3O2
Molecular Weight331.75 g/mol
Exact Mass331.09
IUPAC Name[(2S,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1C[C@@H](F)CN1c1ncc(Cl)cc1F)N1CCOCC1
InChIInChI=1S/C14H16ClF2N3O2/c15-9-5-11(17)13(18-7-9)20-8-10(16)6-12(20)14(21)19-1-3-22-4-2-19/h5,7,10,12H,1-4,6,8H2/t10-,12+/m1/s1
InChIKeyKDGNKIVUAXUSNL-PWSUYJOCSA-N
XLogP1.65
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[(2S,4R)-4-fluoro-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929256
[(2S,4R)-4-fluoro-1-(6-fluoroquinazolin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929112
[(2S,4R)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929180
[(2S,4R)-4-fluoro-1-(7H-purin-6-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929245
[(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929111
[(2S,4R)-1-(5,6-diethyl-1,2,4-triazin-3-yl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929244
[(2R)-1-(5-chloropyrimidin-2-yl)piperidin-2-yl]-morpholin-4-ylmethanone
CID 97055534
[4-chloro-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 4638266
1-(5-chloro-3-fluoro-2-pyridinyl)-2-methylpiperidin-4-amine
CID 115313515
[(2S)-4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanol
CID 96546282
5-chloro-3-fluoro-2-(2-methylpyrrolidin-1-yl)pyridine
CID 79728793
1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 79727259

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 120929174) is [(2S,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C([C@@H]1C[C@@H](F)CN1c1ncc(Cl)cc1F)N1CCOCC1.
What is the InChIKey of [(2S,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is KDGNKIVUAXUSNL-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H16ClF2N3O2/c15-9-5-11(17)13(18-7-9)20-8-10(16)6-12(20)14(21)19-1-3-22-4-2-19/h5,7,10,12H,1-4,6,8H2/t10-,12+/m1/s1.
What are the key properties of [(2S,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 331.75 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-1-(5-chloro-3-fluoro-2-pyridinyl)-4-fluoropyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 120929174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).