5-bromo-2-cyclopropyloxy-4-methylpyridine

C9H10BrNO — CID 118130740

IUPAC5-bromo-2-cyclopropyloxy-4-methylpyridine
SMILESCc1cc(OC2CC2)ncc1Br
InChIInChI=1S/C9H10BrNO/c1-6-4-9(11-5-8(6)10)12-7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyIHBPLFJYCGOPNC-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.69
Rot. Bonds2

About 5-bromo-2-cyclopropyloxy-4-methylpyridine

5-bromo-2-cyclopropyloxy-4-methylpyridine (PubChem CID 118130740) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 5-bromo-2-cyclopropyloxy-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-cyclopropyloxy-4-methylpyridine
PubChem CID118130740
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name5-bromo-2-cyclopropyloxy-4-methylpyridine
SMILESCc1cc(OC2CC2)ncc1Br
InChIInChI=1S/C9H10BrNO/c1-6-4-9(11-5-8(6)10)12-7-2-3-7/h4-5,7H,2-3H2,1H3
InChIKeyIHBPLFJYCGOPNC-UHFFFAOYSA-N
XLogP2.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopropyloxy-4-methylpyridine?
The IUPAC name of 5-bromo-2-cyclopropyloxy-4-methylpyridine (CID 118130740) is 5-bromo-2-cyclopropyloxy-4-methylpyridine.
What is the SMILES notation for 5-bromo-2-cyclopropyloxy-4-methylpyridine?
The canonical SMILES for 5-bromo-2-cyclopropyloxy-4-methylpyridine is Cc1cc(OC2CC2)ncc1Br.
What is the InChIKey of 5-bromo-2-cyclopropyloxy-4-methylpyridine?
The InChIKey is IHBPLFJYCGOPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-6-4-9(11-5-8(6)10)12-7-2-3-7/h4-5,7H,2-3H2,1H3.
What are the key properties of 5-bromo-2-cyclopropyloxy-4-methylpyridine?
5-bromo-2-cyclopropyloxy-4-methylpyridine has a molecular weight of 228.09 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropyloxy-4-methylpyridine is sourced from PubChem (CID 118130740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).