methyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate

C11H12BrNO3 — CID 90298931

IUPACmethyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ncc(Br)cc2OC)CC1
InChIInChI=1S/C11H12BrNO3/c1-15-8-5-7(12)6-13-9(8)11(3-4-11)10(14)16-2/h5-6H,3-4H2,1-2H3
InChIKeyQAJFVIQQPRJUBP-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.06
Rot. Bonds3

About methyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate

methyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate (PubChem CID 90298931) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is methyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
PubChem CID90298931
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Namemethyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ncc(Br)cc2OC)CC1
InChIInChI=1S/C11H12BrNO3/c1-15-8-5-7(12)6-13-9(8)11(3-4-11)10(14)16-2/h5-6H,3-4H2,1-2H3
InChIKeyQAJFVIQQPRJUBP-UHFFFAOYSA-N
XLogP2.06
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate (CID 90298931) is methyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate is COC(=O)C1(c2ncc(Br)cc2OC)CC1.
What is the InChIKey of methyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate?
The InChIKey is QAJFVIQQPRJUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-15-8-5-7(12)6-13-9(8)11(3-4-11)10(14)16-2/h5-6H,3-4H2,1-2H3.
What are the key properties of methyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate?
methyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate has a molecular weight of 286.12 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 90298931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).