5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine

C10H14BrNO — CID 163293521

IUPAC5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine
SMILESCOc1ncc(Br)c(C)c1C(C)C
InChIInChI=1S/C10H14BrNO/c1-6(2)9-7(3)8(11)5-12-10(9)13-4/h5-6H,1-4H3
InChIKeyPDPKXDNKAVUOJX-UHFFFAOYSA-N
MW244.13 g/mol
LogP3.28
Rot. Bonds2

About 5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine

5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine (PubChem CID 163293521) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine.

Molecular Properties

Compound Name5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine
PubChem CID163293521
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine
SMILESCOc1ncc(Br)c(C)c1C(C)C
InChIInChI=1S/C10H14BrNO/c1-6(2)9-7(3)8(11)5-12-10(9)13-4/h5-6H,1-4H3
InChIKeyPDPKXDNKAVUOJX-UHFFFAOYSA-N
XLogP3.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine?
The IUPAC name of 5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine (CID 163293521) is 5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine.
What is the SMILES notation for 5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine?
The canonical SMILES for 5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine is COc1ncc(Br)c(C)c1C(C)C.
What is the InChIKey of 5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine?
The InChIKey is PDPKXDNKAVUOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-6(2)9-7(3)8(11)5-12-10(9)13-4/h5-6H,1-4H3.
What are the key properties of 5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine?
5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine has a molecular weight of 244.13 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine is sourced from PubChem (CID 163293521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).