5-bromo-2-propan-2-yloxy-3-propoxypyridine

C11H16BrNO2 — CID 76848560

IUPAC5-bromo-2-propan-2-yloxy-3-propoxypyridine
SMILESCCCOc1cc(Br)cnc1OC(C)C
InChIInChI=1S/C11H16BrNO2/c1-4-5-14-10-6-9(12)7-13-11(10)15-8(2)3/h6-8H,4-5H2,1-3H3
InChIKeyMWPCGXSSXDOFRC-UHFFFAOYSA-N
MW274.16 g/mol
LogP3.42
Rot. Bonds5

About 5-bromo-2-propan-2-yloxy-3-propoxypyridine

5-bromo-2-propan-2-yloxy-3-propoxypyridine (PubChem CID 76848560) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 5-bromo-2-propan-2-yloxy-3-propoxypyridine.

Molecular Properties

Compound Name5-bromo-2-propan-2-yloxy-3-propoxypyridine
PubChem CID76848560
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name5-bromo-2-propan-2-yloxy-3-propoxypyridine
SMILESCCCOc1cc(Br)cnc1OC(C)C
InChIInChI=1S/C11H16BrNO2/c1-4-5-14-10-6-9(12)7-13-11(10)15-8(2)3/h6-8H,4-5H2,1-3H3
InChIKeyMWPCGXSSXDOFRC-UHFFFAOYSA-N
XLogP3.42
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-propoxy-3-pyridinyl)-N-methylmethanamine
CID 62291153
5-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982
5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine
CID 61374167
2,3,6,7-tetrapropoxyanthracene
CID 102343273
3-chloro-5-ethyl-2-propan-2-yloxypyridine
CID 90064685
5-bromo-3-chloro-2-ethoxypyridine
CID 71303680
3-[[5-bromo-3-(1-phenylethoxy)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 146212259
N-[1-(5-bromo-2-propoxyphenyl)ethyl]propan-1-amine
CID 55068348
2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine
CID 113370726
5-fluoro-2-propan-2-yloxy-4-propoxyaniline
CID 63593869
2-propan-2-yl-5-propoxy-4-(trifluoromethyl)pyridine
CID 144787128
3-chloro-5-methyl-2-propoxypyridine
CID 58571259

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propan-2-yloxy-3-propoxypyridine?
The IUPAC name of 5-bromo-2-propan-2-yloxy-3-propoxypyridine (CID 76848560) is 5-bromo-2-propan-2-yloxy-3-propoxypyridine.
What is the SMILES notation for 5-bromo-2-propan-2-yloxy-3-propoxypyridine?
The canonical SMILES for 5-bromo-2-propan-2-yloxy-3-propoxypyridine is CCCOc1cc(Br)cnc1OC(C)C.
What is the InChIKey of 5-bromo-2-propan-2-yloxy-3-propoxypyridine?
The InChIKey is MWPCGXSSXDOFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-4-5-14-10-6-9(12)7-13-11(10)15-8(2)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-bromo-2-propan-2-yloxy-3-propoxypyridine?
5-bromo-2-propan-2-yloxy-3-propoxypyridine has a molecular weight of 274.16 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propan-2-yloxy-3-propoxypyridine is sourced from PubChem (CID 76848560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).