methyl 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.1.0]pentane-4-carboxylate

C11H11ClN2O2 — CID 169209317

IUPACmethyl 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.1.0]pentane-4-carboxylate
SMILESCOC(=O)C12CC1N(c1cccc(Cl)n1)C2
InChIInChI=1S/C11H11ClN2O2/c1-16-10(15)11-5-7(11)14(6-11)9-4-2-3-8(12)13-9/h2-4,7H,5-6H2,1H3
InChIKeyPYJLGTBWMMDJKH-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.49
Rot. Bonds2

About methyl 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.1.0]pentane-4-carboxylate

methyl 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.1.0]pentane-4-carboxylate (PubChem CID 169209317) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is methyl 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.1.0]pentane-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.1.0]pentane-4-carboxylate
PubChem CID169209317
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Namemethyl 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.1.0]pentane-4-carboxylate
SMILESCOC(=O)C12CC1N(c1cccc(Cl)n1)C2
InChIInChI=1S/C11H11ClN2O2/c1-16-10(15)11-5-7(11)14(6-11)9-4-2-3-8(12)13-9/h2-4,7H,5-6H2,1H3
InChIKeyPYJLGTBWMMDJKH-UHFFFAOYSA-N
XLogP1.49
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.1.0]pentane-4-carboxylate with MolForge

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Related Compounds

1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 63585985
N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103841267
N-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide
CID 19694928
2-[(2R)-1-(6-chloro-2-pyridinyl)-2-methylazetidin-3-yl]propan-2-ol
CID 166915054
tert-butyl (5R)-4-(6-chloro-2-pyridinyl)-5,6-dimethyl-1,4-diazepane-1-carboxylate
CID 167093707
5-(6-chloro-2-pyridinyl)-5-azaspiro[2.3]hexane
CID 166747166
4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885503
1-(6-chloro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63587479
methyl 3-(2-bromoanilino)-1,5-dimethylpyrrolidine-3-carboxylate
CID 81468311
4-(6-chloro-2-pyridinyl)-2,2,6-trimethylmorpholine
CID 63588228
1-[1-(6-chloro-2-pyridinyl)azetidin-3-yl]-N,N-dimethylmethanamine;oxalic acid
CID 23369524
4-(6-chloro-2-pyridinyl)-3-ethylmorpholine
CID 63585973

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.1.0]pentane-4-carboxylate?
The IUPAC name of methyl 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.1.0]pentane-4-carboxylate (CID 169209317) is methyl 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.1.0]pentane-4-carboxylate.
What is the SMILES notation for methyl 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.1.0]pentane-4-carboxylate?
The canonical SMILES for methyl 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.1.0]pentane-4-carboxylate is COC(=O)C12CC1N(c1cccc(Cl)n1)C2.
What is the InChIKey of methyl 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.1.0]pentane-4-carboxylate?
The InChIKey is PYJLGTBWMMDJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-16-10(15)11-5-7(11)14(6-11)9-4-2-3-8(12)13-9/h2-4,7H,5-6H2,1H3.
What are the key properties of methyl 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.1.0]pentane-4-carboxylate?
methyl 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.1.0]pentane-4-carboxylate has a molecular weight of 238.67 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloro-2-pyridinyl)-2-azabicyclo[2.1.0]pentane-4-carboxylate is sourced from PubChem (CID 169209317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).