(2-chloro-3-pyridinyl)-(7-oxa-3-azabicyclo[4.1.0]heptan-3-yl)methanone

C11H11ClN2O2 — CID 119054617

IUPAC(2-chloro-3-pyridinyl)-(7-oxa-3-azabicyclo[4.1.0]heptan-3-yl)methanone
SMILESO=C(c1cccnc1Cl)N1CCC2OC2C1
InChIInChI=1S/C11H11ClN2O2/c12-10-7(2-1-4-13-10)11(15)14-5-3-8-9(6-14)16-8/h1-2,4,8-9H,3,5-6H2
InChIKeyYAOQQRYRUITMHC-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.35
Rot. Bonds1

About (2-chloro-3-pyridinyl)-(7-oxa-3-azabicyclo[4.1.0]heptan-3-yl)methanone

(2-chloro-3-pyridinyl)-(7-oxa-3-azabicyclo[4.1.0]heptan-3-yl)methanone (PubChem CID 119054617) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-(7-oxa-3-azabicyclo[4.1.0]heptan-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-(7-oxa-3-azabicyclo[4.1.0]heptan-3-yl)methanone
PubChem CID119054617
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name(2-chloro-3-pyridinyl)-(7-oxa-3-azabicyclo[4.1.0]heptan-3-yl)methanone
SMILESO=C(c1cccnc1Cl)N1CCC2OC2C1
InChIInChI=1S/C11H11ClN2O2/c12-10-7(2-1-4-13-10)11(15)14-5-3-8-9(6-14)16-8/h1-2,4,8-9H,3,5-6H2
InChIKeyYAOQQRYRUITMHC-UHFFFAOYSA-N
XLogP1.35
TPSA45.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226414
[(3S)-3-aminopyrrolidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71643927
(3-aminopyrrolidin-1-yl)-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644269
(2-chloro-3-pyridinyl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 97169687
(2-chloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668646
[(1R,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]-pyridin-3-ylmethanone
CID 98470590
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2-chloro-3-pyridinyl)methanone
CID 61051246
(2-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611734
(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 71639387
2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 113227915
(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 43430237
(3-fluoro-4-pyridinyl)-[(1S,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 124854532

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-(7-oxa-3-azabicyclo[4.1.0]heptan-3-yl)methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-(7-oxa-3-azabicyclo[4.1.0]heptan-3-yl)methanone (CID 119054617) is (2-chloro-3-pyridinyl)-(7-oxa-3-azabicyclo[4.1.0]heptan-3-yl)methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-(7-oxa-3-azabicyclo[4.1.0]heptan-3-yl)methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-(7-oxa-3-azabicyclo[4.1.0]heptan-3-yl)methanone is O=C(c1cccnc1Cl)N1CCC2OC2C1.
What is the InChIKey of (2-chloro-3-pyridinyl)-(7-oxa-3-azabicyclo[4.1.0]heptan-3-yl)methanone?
The InChIKey is YAOQQRYRUITMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-10-7(2-1-4-13-10)11(15)14-5-3-8-9(6-14)16-8/h1-2,4,8-9H,3,5-6H2.
What are the key properties of (2-chloro-3-pyridinyl)-(7-oxa-3-azabicyclo[4.1.0]heptan-3-yl)methanone?
(2-chloro-3-pyridinyl)-(7-oxa-3-azabicyclo[4.1.0]heptan-3-yl)methanone has a molecular weight of 238.67 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-(7-oxa-3-azabicyclo[4.1.0]heptan-3-yl)methanone is sourced from PubChem (CID 119054617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).