4-bromo-3-(oxolan-3-ylmethoxy)pyridine

C10H12BrNO2 — CID 90421245

IUPAC4-bromo-3-(oxolan-3-ylmethoxy)pyridine
SMILESBrc1ccncc1OCC1CCOC1
InChIInChI=1S/C10H12BrNO2/c11-9-1-3-12-5-10(9)14-7-8-2-4-13-6-8/h1,3,5,8H,2,4,6-7H2
InChIKeyVGNBMUAOPUUADL-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.26
Rot. Bonds3

About 4-bromo-3-(oxolan-3-ylmethoxy)pyridine

4-bromo-3-(oxolan-3-ylmethoxy)pyridine (PubChem CID 90421245) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 4-bromo-3-(oxolan-3-ylmethoxy)pyridine.

Molecular Properties

Compound Name4-bromo-3-(oxolan-3-ylmethoxy)pyridine
PubChem CID90421245
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name4-bromo-3-(oxolan-3-ylmethoxy)pyridine
SMILESBrc1ccncc1OCC1CCOC1
InChIInChI=1S/C10H12BrNO2/c11-9-1-3-12-5-10(9)14-7-8-2-4-13-6-8/h1,3,5,8H,2,4,6-7H2
InChIKeyVGNBMUAOPUUADL-UHFFFAOYSA-N
XLogP2.26
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-(cyclopropylmethoxy)pyridine
CID 90156558
3-[(2,4-dibromophenoxy)methyl]oxolane
CID 91641548
4-bromo-2-(oxolan-3-ylmethoxy)aniline
CID 65342327
3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine
CID 104776871
5-bromo-4-methoxy-2-(oxolan-3-ylmethoxy)pyrimidine
CID 106999301
3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
3-bromo-4-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 82799234
2-[3,5-dibromo-4-(oxolan-3-ylmethoxy)phenyl]ethanamine
CID 107739535
5-chloro-2-(oxolan-3-ylmethoxy)pyridine
CID 66234571
3-bromo-4-(piperidin-4-ylmethoxy)pyridine
CID 104779217
1-[[3-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-3-(3-phenoxycyclobutyl)urea
CID 166243047
1-(cyclopropylmethyl)-N-[[3-[[(3S)-oxolan-3-yl]methoxy]-4-pyridinyl]methyl]pyrazole-4-sulfonamide
CID 164627824

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(oxolan-3-ylmethoxy)pyridine?
The IUPAC name of 4-bromo-3-(oxolan-3-ylmethoxy)pyridine (CID 90421245) is 4-bromo-3-(oxolan-3-ylmethoxy)pyridine.
What is the SMILES notation for 4-bromo-3-(oxolan-3-ylmethoxy)pyridine?
The canonical SMILES for 4-bromo-3-(oxolan-3-ylmethoxy)pyridine is Brc1ccncc1OCC1CCOC1.
What is the InChIKey of 4-bromo-3-(oxolan-3-ylmethoxy)pyridine?
The InChIKey is VGNBMUAOPUUADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-9-1-3-12-5-10(9)14-7-8-2-4-13-6-8/h1,3,5,8H,2,4,6-7H2.
What are the key properties of 4-bromo-3-(oxolan-3-ylmethoxy)pyridine?
4-bromo-3-(oxolan-3-ylmethoxy)pyridine has a molecular weight of 258.11 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(oxolan-3-ylmethoxy)pyridine is sourced from PubChem (CID 90421245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).