2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine

C12H11BrN2O — CID 79799847

IUPAC2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine
SMILESBrCc1ccc(OCc2ccncc2)cn1
InChIInChI=1S/C12H11BrN2O/c13-7-11-1-2-12(8-15-11)16-9-10-3-5-14-6-4-10/h1-6,8H,7,9H2
InChIKeyISPXBSBNHVXHKR-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.95
Rot. Bonds4

About 2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine

2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine (PubChem CID 79799847) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine
PubChem CID79799847
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine
SMILESBrCc1ccc(OCc2ccncc2)cn1
InChIInChI=1S/C12H11BrN2O/c13-7-11-1-2-12(8-15-11)16-9-10-3-5-14-6-4-10/h1-6,8H,7,9H2
InChIKeyISPXBSBNHVXHKR-UHFFFAOYSA-N
XLogP2.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine
CID 79799954
2-methoxy-N-[[5-(pyridin-4-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79794479
2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine
CID 79800580
2-(bromomethyl)-5-[(5-bromothiophen-2-yl)methoxy]pyridine
CID 79800755
3-[[6-(bromomethyl)-3-pyridinyl]oxymethyl]pyridine-2-carbonitrile
CID 79799573
2-(bromomethyl)-5-[(2-methoxyphenyl)methoxy]pyridine
CID 79799388
2-(bromomethyl)-5-(ethoxymethoxy)pyridine
CID 79800750
[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine
CID 113320443
[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methanol
CID 79800019
1-[5-[(4-bromophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 79775958
2-(bromomethyl)-5-octoxypyridine
CID 79799471
2-(bromomethyl)-5-decoxypyridine
CID 79799851

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine?
The IUPAC name of 2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine (CID 79799847) is 2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine.
What is the SMILES notation for 2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine?
The canonical SMILES for 2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine is BrCc1ccc(OCc2ccncc2)cn1.
What is the InChIKey of 2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine?
The InChIKey is ISPXBSBNHVXHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-7-11-1-2-12(8-15-11)16-9-10-3-5-14-6-4-10/h1-6,8H,7,9H2.
What are the key properties of 2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine?
2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine has a molecular weight of 279.14 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine is sourced from PubChem (CID 79799847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).