4-bromo-2-methoxy-3-propan-2-yloxypyridine

C9H12BrNO2 — CID 141302692

IUPAC4-bromo-2-methoxy-3-propan-2-yloxypyridine
SMILESCOc1nccc(Br)c1OC(C)C
InChIInChI=1S/C9H12BrNO2/c1-6(2)13-8-7(10)4-5-11-9(8)12-3/h4-6H,1-3H3
InChIKeySSBJOKALGVDXJQ-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.64
Rot. Bonds3

About 4-bromo-2-methoxy-3-propan-2-yloxypyridine

4-bromo-2-methoxy-3-propan-2-yloxypyridine (PubChem CID 141302692) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 4-bromo-2-methoxy-3-propan-2-yloxypyridine.

Molecular Properties

Compound Name4-bromo-2-methoxy-3-propan-2-yloxypyridine
PubChem CID141302692
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name4-bromo-2-methoxy-3-propan-2-yloxypyridine
SMILESCOc1nccc(Br)c1OC(C)C
InChIInChI=1S/C9H12BrNO2/c1-6(2)13-8-7(10)4-5-11-9(8)12-3/h4-6H,1-3H3
InChIKeySSBJOKALGVDXJQ-UHFFFAOYSA-N
XLogP2.64
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene
CID 155293778
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8-bromo-1-methoxyisoquinoline
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1-bromo-2-fluoro-4-methoxy-3-propan-2-yloxybenzene
CID 125116564
2,3-dibromo-1,5-dimethoxy-4-propan-2-yloxybenzene
CID 11681892
5-methoxy-1,6-naphthyridine
CID 67055577
1-bromo-4-propan-2-yloxynaphthalene
CID 15341859
4-methoxy-7-methyl-6-propan-2-yloxyquinoline
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CID 133060067

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-3-propan-2-yloxypyridine?
The IUPAC name of 4-bromo-2-methoxy-3-propan-2-yloxypyridine (CID 141302692) is 4-bromo-2-methoxy-3-propan-2-yloxypyridine.
What is the SMILES notation for 4-bromo-2-methoxy-3-propan-2-yloxypyridine?
The canonical SMILES for 4-bromo-2-methoxy-3-propan-2-yloxypyridine is COc1nccc(Br)c1OC(C)C.
What is the InChIKey of 4-bromo-2-methoxy-3-propan-2-yloxypyridine?
The InChIKey is SSBJOKALGVDXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-6(2)13-8-7(10)4-5-11-9(8)12-3/h4-6H,1-3H3.
What are the key properties of 4-bromo-2-methoxy-3-propan-2-yloxypyridine?
4-bromo-2-methoxy-3-propan-2-yloxypyridine has a molecular weight of 246.10 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-3-propan-2-yloxypyridine is sourced from PubChem (CID 141302692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).