3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine

C12H15BrClNO2 — CID 114837770

IUPAC3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine
SMILESCOC1CCCC(Oc2ncc(Cl)cc2Br)C1
InChIInChI=1S/C12H15BrClNO2/c1-16-9-3-2-4-10(6-9)17-12-11(13)5-8(14)7-15-12/h5,7,9-10H,2-4,6H2,1H3
InChIKeyDDVJBDDPJPNQLL-UHFFFAOYSA-N
MW320.61 g/mol
LogP3.83
Rot. Bonds3

About 3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine

3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine (PubChem CID 114837770) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine.

Molecular Properties

Compound Name3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine
PubChem CID114837770
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine
SMILESCOC1CCCC(Oc2ncc(Cl)cc2Br)C1
InChIInChI=1S/C12H15BrClNO2/c1-16-9-3-2-4-10(6-9)17-12-11(13)5-8(14)7-15-12/h5,7,9-10H,2-4,6H2,1H3
InChIKeyDDVJBDDPJPNQLL-UHFFFAOYSA-N
XLogP3.83
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine?
The IUPAC name of 3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine (CID 114837770) is 3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine.
What is the SMILES notation for 3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine?
The canonical SMILES for 3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine is COC1CCCC(Oc2ncc(Cl)cc2Br)C1.
What is the InChIKey of 3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine?
The InChIKey is DDVJBDDPJPNQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-16-9-3-2-4-10(6-9)17-12-11(13)5-8(14)7-15-12/h5,7,9-10H,2-4,6H2,1H3.
What are the key properties of 3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine?
3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine has a molecular weight of 320.61 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine is sourced from PubChem (CID 114837770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).