[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone

C14H13ClN2O2S — CID 119100261

IUPAC[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C14H13ClN2O2S/c15-12-7-16-4-1-13(12)19-11-2-5-17(8-11)14(18)10-3-6-20-9-10/h1,3-4,6-7,9,11H,2,5,8H2
InChIKeyDHIDRGWBQFAOKU-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.09
Rot. Bonds3

About [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone

[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 119100261) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID119100261
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C14H13ClN2O2S/c15-12-7-16-4-1-13(12)19-11-2-5-17(8-11)14(18)10-3-6-20-9-10/h1,3-4,6-7,9,11H,2,5,8H2
InChIKeyDHIDRGWBQFAOKU-UHFFFAOYSA-N
XLogP3.09
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 121017511
[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 119100531
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 119100273
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121017487
[2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 119100237
tert-butyl 3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 172892748
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 122256222
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone
CID 122256358
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone
CID 119100246
[4-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 121017872
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 121017510
1-[2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 121017496

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 119100261) is [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC(Oc2ccncc2Cl)C1.
What is the InChIKey of [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is DHIDRGWBQFAOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-12-7-16-4-1-13(12)19-11-2-5-17(8-11)14(18)10-3-6-20-9-10/h1,3-4,6-7,9,11H,2,5,8H2.
What are the key properties of [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone?
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 308.79 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 119100261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).