(2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone

C15H13ClFN3O2 — CID 100753127

IUPAC(2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1Cl)N1CC[C@@H](Oc2cnccn2)C1
InChIInChI=1S/C15H13ClFN3O2/c16-11-2-1-3-12(17)14(11)15(21)20-7-4-10(9-20)22-13-8-18-5-6-19-13/h1-3,5-6,8,10H,4,7,9H2/t10-/m1/s1
InChIKeyCLGLCNSCSQEQDJ-SNVBAGLBSA-N
MW321.74 g/mol
LogP2.56
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone

(2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone (PubChem CID 100753127) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
PubChem CID100753127
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC Name(2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1Cl)N1CC[C@@H](Oc2cnccn2)C1
InChIInChI=1S/C15H13ClFN3O2/c16-11-2-1-3-12(17)14(11)15(21)20-7-4-10(9-20)22-13-8-18-5-6-19-13/h1-3,5-6,8,10H,4,7,9H2/t10-/m1/s1
InChIKeyCLGLCNSCSQEQDJ-SNVBAGLBSA-N
XLogP2.56
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 129355694
(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide
CID 90636300
N-(2,6-difluorophenyl)-4-pyrazin-2-yloxypiperidine-1-carboxamide
CID 71799286
(2-chloro-4-fluorophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90559064
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
(2-chloro-6-fluorophenyl)-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 154576628
(2-ethoxynaphthalen-1-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636127

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone (CID 100753127) is (2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone is O=C(c1c(F)cccc1Cl)N1CC[C@@H](Oc2cnccn2)C1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone?
The InChIKey is CLGLCNSCSQEQDJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13ClFN3O2/c16-11-2-1-3-12(17)14(11)15(21)20-7-4-10(9-20)22-13-8-18-5-6-19-13/h1-3,5-6,8,10H,4,7,9H2/t10-/m1/s1.
What are the key properties of (2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone has a molecular weight of 321.74 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 100753127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).