4-(1-adamantylmethoxy)-3-bromopyridine

C16H20BrNO — CID 90455992

IUPAC4-(1-adamantylmethoxy)-3-bromopyridine
SMILESBrc1cnccc1OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H20BrNO/c17-14-9-18-2-1-15(14)19-10-16-6-11-3-12(7-16)5-13(4-11)8-16/h1-2,9,11-13H,3-8,10H2
InChIKeyULQRQUZADFONPZ-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.44
Rot. Bonds3

About 4-(1-adamantylmethoxy)-3-bromopyridine

4-(1-adamantylmethoxy)-3-bromopyridine (PubChem CID 90455992) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is 4-(1-adamantylmethoxy)-3-bromopyridine.

Molecular Properties

Compound Name4-(1-adamantylmethoxy)-3-bromopyridine
PubChem CID90455992
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC Name4-(1-adamantylmethoxy)-3-bromopyridine
SMILESBrc1cnccc1OCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H20BrNO/c17-14-9-18-2-1-15(14)19-10-16-6-11-3-12(7-16)5-13(4-11)8-16/h1-2,9,11-13H,3-8,10H2
InChIKeyULQRQUZADFONPZ-UHFFFAOYSA-N
XLogP4.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantylmethoxy)-3-bromopyridine?
The IUPAC name of 4-(1-adamantylmethoxy)-3-bromopyridine (CID 90455992) is 4-(1-adamantylmethoxy)-3-bromopyridine.
What is the SMILES notation for 4-(1-adamantylmethoxy)-3-bromopyridine?
The canonical SMILES for 4-(1-adamantylmethoxy)-3-bromopyridine is Brc1cnccc1OCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 4-(1-adamantylmethoxy)-3-bromopyridine?
The InChIKey is ULQRQUZADFONPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c17-14-9-18-2-1-15(14)19-10-16-6-11-3-12(7-16)5-13(4-11)8-16/h1-2,9,11-13H,3-8,10H2.
What are the key properties of 4-(1-adamantylmethoxy)-3-bromopyridine?
4-(1-adamantylmethoxy)-3-bromopyridine has a molecular weight of 322.25 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylmethoxy)-3-bromopyridine is sourced from PubChem (CID 90455992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).