ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate

C13H17NO3 — CID 59988842

IUPACethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate
SMILESCCOC(=O)CC1CC1c1ccc(OC)nc1
InChIInChI=1S/C13H17NO3/c1-3-17-13(15)7-10-6-11(10)9-4-5-12(16-2)14-8-9/h4-5,8,10-11H,3,6-7H2,1-2H3
InChIKeyNHWBXXBZODSJLS-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.15
Rot. Bonds5

About ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate

ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate (PubChem CID 59988842) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate
PubChem CID59988842
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate
SMILESCCOC(=O)CC1CC1c1ccc(OC)nc1
InChIInChI=1S/C13H17NO3/c1-3-17-13(15)7-10-6-11(10)9-4-5-12(16-2)14-8-9/h4-5,8,10-11H,3,6-7H2,1-2H3
InChIKeyNHWBXXBZODSJLS-UHFFFAOYSA-N
XLogP2.15
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-ethylcyclopropyl)-2-methoxypyridine
CID 59988749
trans-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbonyl chloride
CID 129244238
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
cis-(1R,2R)-2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde
CID 130863052
2-(6-methoxy-3-pyridinyl)cyclopropane-1-carbaldehyde
CID 59988721
ethyl 2-[2-(3,5-difluoro-4-methylphenyl)cyclopropyl]acetate
CID 58566598
ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989927
ethyl 2-[2-(2,3-difluoro-4-methoxyphenyl)cyclopropyl]acetate
CID 20817474
2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid
CID 140830560
ethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate
CID 59455542
cis-ethyl (1R,2S)-2-(6-bromo-3-pyridinyl)cyclopropane-1-carboxylate
CID 124561675
ethyl (2S,4S,5S)-4-cyano-5-(6-methoxy-3-pyridinyl)-4-methylpyrrolidine-2-carboxylate
CID 137361918

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate?
The IUPAC name of ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate (CID 59988842) is ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate.
What is the SMILES notation for ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate?
The canonical SMILES for ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate is CCOC(=O)CC1CC1c1ccc(OC)nc1.
What is the InChIKey of ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate?
The InChIKey is NHWBXXBZODSJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-17-13(15)7-10-6-11(10)9-4-5-12(16-2)14-8-9/h4-5,8,10-11H,3,6-7H2,1-2H3.
What are the key properties of ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate?
ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate has a molecular weight of 235.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(6-methoxy-3-pyridinyl)cyclopropyl]acetate is sourced from PubChem (CID 59988842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).