2-bromo-3-(methoxymethyl)pyridine;2-bromo-5-(methoxymethyl)pyridine;3-bromo-5-(methoxymethyl)pyridine;3-[methoxy(phenyl)methyl]pyridine;3-[methoxy(pyridin-3-yl)methyl]pyridine

C46H49Br3N6O5 — CID 167691295

IUPAC2-bromo-3-(methoxymethyl)pyridine;2-bromo-5-(methoxymethyl)pyridine;3-bromo-5-(methoxymethyl)pyridine;3-[methoxy(phenyl)methyl]pyridine;3-[methoxy(pyridin-3-yl)methyl]pyridine
SMILESCOC(c1ccccc1)c1cccnc1.COC(c1cccnc1)c1cccnc1.COCc1ccc(Br)nc1.COCc1cccnc1Br.COCc1cncc(Br)c1
InChIInChI=1S/C13H13NO.C12H12N2O.3C7H8BrNO/c1-15-13(11-6-3-2-4-7-11)12-8-5-9-14-10-12;1-15-12(10-4-2-6-13-8-10)11-5-3-7-14-9-11;1-10-5-6-2-7(8)4-9-3-6;1-10-5-6-2-3-7(8)9-4-6;1-10-5-6-3-2-4-9-7(6)8/h2-10,13H,1H3;2-9,12H,1H3;3*2-4H,5H2,1H3
InChIKeyRQUJGWVBVLZKEQ-UHFFFAOYSA-N
MW1005.65 g/mol
LogP11.00
Rot. Bonds12

About 2-bromo-3-(methoxymethyl)pyridine;2-bromo-5-(methoxymethyl)pyridine;3-bromo-5-(methoxymethyl)pyridine;3-[methoxy(phenyl)methyl]pyridine;3-[methoxy(pyridin-3-yl)methyl]pyridine

2-bromo-3-(methoxymethyl)pyridine;2-bromo-5-(methoxymethyl)pyridine;3-bromo-5-(methoxymethyl)pyridine;3-[methoxy(phenyl)methyl]pyridine;3-[methoxy(pyridin-3-yl)methyl]pyridine (PubChem CID 167691295) has the molecular formula C46H49Br3N6O5 and a molecular weight of 1005.65 g/mol. Its IUPAC name is 2-bromo-3-(methoxymethyl)pyridine;2-bromo-5-(methoxymethyl)pyridine;3-bromo-5-(methoxymethyl)pyridine;3-[methoxy(phenyl)methyl]pyridine;3-[methoxy(pyridin-3-yl)methyl]pyridine.

Molecular Properties

Compound Name2-bromo-3-(methoxymethyl)pyridine;2-bromo-5-(methoxymethyl)pyridine;3-bromo-5-(methoxymethyl)pyridine;3-[methoxy(phenyl)methyl]pyridine;3-[methoxy(pyridin-3-yl)methyl]pyridine
PubChem CID167691295
Molecular FormulaC46H49Br3N6O5
Molecular Weight1005.65 g/mol
Exact Mass1002.13
IUPAC Name2-bromo-3-(methoxymethyl)pyridine;2-bromo-5-(methoxymethyl)pyridine;3-bromo-5-(methoxymethyl)pyridine;3-[methoxy(phenyl)methyl]pyridine;3-[methoxy(pyridin-3-yl)methyl]pyridine
SMILESCOC(c1ccccc1)c1cccnc1.COC(c1cccnc1)c1cccnc1.COCc1ccc(Br)nc1.COCc1cccnc1Br.COCc1cncc(Br)c1
InChIInChI=1S/C13H13NO.C12H12N2O.3C7H8BrNO/c1-15-13(11-6-3-2-4-7-11)12-8-5-9-14-10-12;1-15-12(10-4-2-6-13-8-10)11-5-3-7-14-9-11;1-10-5-6-2-7(8)4-9-3-6;1-10-5-6-2-3-7(8)9-4-6;1-10-5-6-3-2-4-9-7(6)8/h2-10,13H,1H3;2-9,12H,1H3;3*2-4H,5H2,1H3
InChIKeyRQUJGWVBVLZKEQ-UHFFFAOYSA-N
XLogP11.00
TPSA123.49 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001005.65
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(methoxymethyl)pyridine;2-bromo-5-(methoxymethyl)pyridine;3-bromo-5-(methoxymethyl)pyridine;3-[methoxy(phenyl)methyl]pyridine;3-[methoxy(pyridin-3-yl)methyl]pyridine?
The IUPAC name of 2-bromo-3-(methoxymethyl)pyridine;2-bromo-5-(methoxymethyl)pyridine;3-bromo-5-(methoxymethyl)pyridine;3-[methoxy(phenyl)methyl]pyridine;3-[methoxy(pyridin-3-yl)methyl]pyridine (CID 167691295) is 2-bromo-3-(methoxymethyl)pyridine;2-bromo-5-(methoxymethyl)pyridine;3-bromo-5-(methoxymethyl)pyridine;3-[methoxy(phenyl)methyl]pyridine;3-[methoxy(pyridin-3-yl)methyl]pyridine.
What is the SMILES notation for 2-bromo-3-(methoxymethyl)pyridine;2-bromo-5-(methoxymethyl)pyridine;3-bromo-5-(methoxymethyl)pyridine;3-[methoxy(phenyl)methyl]pyridine;3-[methoxy(pyridin-3-yl)methyl]pyridine?
The canonical SMILES for 2-bromo-3-(methoxymethyl)pyridine;2-bromo-5-(methoxymethyl)pyridine;3-bromo-5-(methoxymethyl)pyridine;3-[methoxy(phenyl)methyl]pyridine;3-[methoxy(pyridin-3-yl)methyl]pyridine is COC(c1ccccc1)c1cccnc1.COC(c1cccnc1)c1cccnc1.COCc1ccc(Br)nc1.COCc1cccnc1Br.COCc1cncc(Br)c1.
What is the InChIKey of 2-bromo-3-(methoxymethyl)pyridine;2-bromo-5-(methoxymethyl)pyridine;3-bromo-5-(methoxymethyl)pyridine;3-[methoxy(phenyl)methyl]pyridine;3-[methoxy(pyridin-3-yl)methyl]pyridine?
The InChIKey is RQUJGWVBVLZKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.C12H12N2O.3C7H8BrNO/c1-15-13(11-6-3-2-4-7-11)12-8-5-9-14-10-12;1-15-12(10-4-2-6-13-8-10)11-5-3-7-14-9-11;1-10-5-6-2-7(8)4-9-3-6;1-10-5-6-2-3-7(8)9-4-6;1-10-5-6-3-2-4-9-7(6)8/h2-10,13H,1H3;2-9,12H,1H3;3*2-4H,5H2,1H3.
What are the key properties of 2-bromo-3-(methoxymethyl)pyridine;2-bromo-5-(methoxymethyl)pyridine;3-bromo-5-(methoxymethyl)pyridine;3-[methoxy(phenyl)methyl]pyridine;3-[methoxy(pyridin-3-yl)methyl]pyridine?
2-bromo-3-(methoxymethyl)pyridine;2-bromo-5-(methoxymethyl)pyridine;3-bromo-5-(methoxymethyl)pyridine;3-[methoxy(phenyl)methyl]pyridine;3-[methoxy(pyridin-3-yl)methyl]pyridine has a molecular weight of 1005.65 g/mol, XLogP of 11.00, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(methoxymethyl)pyridine;2-bromo-5-(methoxymethyl)pyridine;3-bromo-5-(methoxymethyl)pyridine;3-[methoxy(phenyl)methyl]pyridine;3-[methoxy(pyridin-3-yl)methyl]pyridine is sourced from PubChem (CID 167691295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).