3-bromo-5-chloro-2-(oxan-4-ylmethoxy)pyridine

C11H13BrClNO2 — CID 114837736

IUPAC3-bromo-5-chloro-2-(oxan-4-ylmethoxy)pyridine
SMILESClc1cnc(OCC2CCOCC2)c(Br)c1
InChIInChI=1S/C11H13BrClNO2/c12-10-5-9(13)6-14-11(10)16-7-8-1-3-15-4-2-8/h5-6,8H,1-4,7H2
InChIKeyCVZLZJPOQPPKDJ-UHFFFAOYSA-N
MW306.59 g/mol
LogP3.30
Rot. Bonds3

About 3-bromo-5-chloro-2-(oxan-4-ylmethoxy)pyridine

3-bromo-5-chloro-2-(oxan-4-ylmethoxy)pyridine (PubChem CID 114837736) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-(oxan-4-ylmethoxy)pyridine.

Molecular Properties

Compound Name3-bromo-5-chloro-2-(oxan-4-ylmethoxy)pyridine
PubChem CID114837736
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name3-bromo-5-chloro-2-(oxan-4-ylmethoxy)pyridine
SMILESClc1cnc(OCC2CCOCC2)c(Br)c1
InChIInChI=1S/C11H13BrClNO2/c12-10-5-9(13)6-14-11(10)16-7-8-1-3-15-4-2-8/h5-6,8H,1-4,7H2
InChIKeyCVZLZJPOQPPKDJ-UHFFFAOYSA-N
XLogP3.30
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-2-(cyclopropylmethoxy)pyridine
CID 114837615
3-bromo-5-chloro-2-(cyclopentylmethoxy)pyridine
CID 114837797
5-bromo-6-(oxan-4-ylmethoxy)pyridin-3-amine
CID 79534671
3-bromo-5-chloro-2-(oxolan-2-ylmethoxy)pyridine
CID 114837569
[3-[(3-bromo-5-chloro-2-pyridinyl)oxy]cyclobutyl]methanamine
CID 114838257
2-[(3-bromo-5-chloro-2-pyridinyl)oxymethyl]-6-methylmorpholine
CID 102635416
2-(azetidin-3-yloxy)-3-bromo-5-chloropyridine
CID 114838242
[5-chloro-6-(oxolan-3-ylmethoxy)-3-pyridinyl]methanamine
CID 62322087
5-bromo-6-(cyclopropylmethoxy)pyridine-3-carboxylic acid
CID 21109708
5-bromo-4-(oxan-4-ylmethoxy)-N-propylpyrimidin-2-amine
CID 80880911
3,5-dichloro-N-ethyl-6-(oxan-4-ylmethoxy)pyridin-2-amine
CID 102760933
5-ethynyl-6-(oxan-4-ylmethoxy)pyridine-3-sulfonamide
CID 87279384

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-(oxan-4-ylmethoxy)pyridine?
The IUPAC name of 3-bromo-5-chloro-2-(oxan-4-ylmethoxy)pyridine (CID 114837736) is 3-bromo-5-chloro-2-(oxan-4-ylmethoxy)pyridine.
What is the SMILES notation for 3-bromo-5-chloro-2-(oxan-4-ylmethoxy)pyridine?
The canonical SMILES for 3-bromo-5-chloro-2-(oxan-4-ylmethoxy)pyridine is Clc1cnc(OCC2CCOCC2)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-2-(oxan-4-ylmethoxy)pyridine?
The InChIKey is CVZLZJPOQPPKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c12-10-5-9(13)6-14-11(10)16-7-8-1-3-15-4-2-8/h5-6,8H,1-4,7H2.
What are the key properties of 3-bromo-5-chloro-2-(oxan-4-ylmethoxy)pyridine?
3-bromo-5-chloro-2-(oxan-4-ylmethoxy)pyridine has a molecular weight of 306.59 g/mol, XLogP of 3.30, 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-(oxan-4-ylmethoxy)pyridine is sourced from PubChem (CID 114837736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).