4-bromo-2-methoxy-3,5-dimethylpyridine

C8H10BrNO — CID 67811684

IUPAC4-bromo-2-methoxy-3,5-dimethylpyridine
SMILESCOc1ncc(C)c(Br)c1C
InChIInChI=1S/C8H10BrNO/c1-5-4-10-8(11-3)6(2)7(5)9/h4H,1-3H3
InChIKeyKYVFSCDQWUULIP-UHFFFAOYSA-N
MW216.08 g/mol
LogP2.47
Rot. Bonds1

About 4-bromo-2-methoxy-3,5-dimethylpyridine

4-bromo-2-methoxy-3,5-dimethylpyridine (PubChem CID 67811684) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 4-bromo-2-methoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name4-bromo-2-methoxy-3,5-dimethylpyridine
PubChem CID67811684
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name4-bromo-2-methoxy-3,5-dimethylpyridine
SMILESCOc1ncc(C)c(Br)c1C
InChIInChI=1S/C8H10BrNO/c1-5-4-10-8(11-3)6(2)7(5)9/h4H,1-3H3
InChIKeyKYVFSCDQWUULIP-UHFFFAOYSA-N
XLogP2.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-3,5-dimethylpyridine?
The IUPAC name of 4-bromo-2-methoxy-3,5-dimethylpyridine (CID 67811684) is 4-bromo-2-methoxy-3,5-dimethylpyridine.
What is the SMILES notation for 4-bromo-2-methoxy-3,5-dimethylpyridine?
The canonical SMILES for 4-bromo-2-methoxy-3,5-dimethylpyridine is COc1ncc(C)c(Br)c1C.
What is the InChIKey of 4-bromo-2-methoxy-3,5-dimethylpyridine?
The InChIKey is KYVFSCDQWUULIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-5-4-10-8(11-3)6(2)7(5)9/h4H,1-3H3.
What are the key properties of 4-bromo-2-methoxy-3,5-dimethylpyridine?
4-bromo-2-methoxy-3,5-dimethylpyridine has a molecular weight of 216.08 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-3,5-dimethylpyridine is sourced from PubChem (CID 67811684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).