5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine

C11H14BrNO — CID 138985890

IUPAC5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine
SMILESCc1cc(Br)cnc1OCC1CCC1
InChIInChI=1S/C11H14BrNO/c1-8-5-10(12)6-13-11(8)14-7-9-3-2-4-9/h5-6,9H,2-4,7H2,1H3
InChIKeyQNYZKCQTJAYMQM-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.33
Rot. Bonds3

About 5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine

5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine (PubChem CID 138985890) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine
PubChem CID138985890
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine
SMILESCc1cc(Br)cnc1OCC1CCC1
InChIInChI=1S/C11H14BrNO/c1-8-5-10(12)6-13-11(8)14-7-9-3-2-4-9/h5-6,9H,2-4,7H2,1H3
InChIKeyQNYZKCQTJAYMQM-UHFFFAOYSA-N
XLogP3.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(cyclobutylmethoxy)-3-nitropyridine
CID 45158681
1-[5-bromo-2-(cyclopropylmethoxy)-3-pyridinyl]-N-methylmethanamine
CID 62291519
5-bromo-3-methyl-2-(2-piperidin-2-ylethoxy)pyridine
CID 79717731
5-bromo-2-(cyclobutylmethoxy)-3-methylbenzonitrile
CID 171919359
[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methanol
CID 112621165
5-bromo-2-(cyclopentylmethoxy)-4-methylpyridine
CID 114870777
3,5-dibromo-2-(2-cyclobutylethoxy)pyridine
CID 106203686
3-bromo-5-chloro-2-(cyclopentylmethoxy)pyridine
CID 114837797
5-bromo-3-methyl-2-(oxetan-3-yloxy)pyridine
CID 102607188
N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 115961722
5-bromo-2-[(1-methylpiperidin-3-yl)methoxy]-3-nitropyridine
CID 165373797
5-bromo-2-[(1-methylpiperidin-4-yl)methoxy]pyridine-3-sulfonamide
CID 168730236

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine?
The IUPAC name of 5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine (CID 138985890) is 5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine.
What is the SMILES notation for 5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine?
The canonical SMILES for 5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine is Cc1cc(Br)cnc1OCC1CCC1.
What is the InChIKey of 5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine?
The InChIKey is QNYZKCQTJAYMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8-5-10(12)6-13-11(8)14-7-9-3-2-4-9/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine?
5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine has a molecular weight of 256.14 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclobutylmethoxy)-3-methylpyridine is sourced from PubChem (CID 138985890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).