methyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate

C15H14BrNO3 — CID 82828515

IUPACmethyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COCc2ccccc2Br)nc1
InChIInChI=1S/C15H14BrNO3/c1-19-15(18)11-6-7-13(17-8-11)10-20-9-12-4-2-3-5-14(12)16/h2-8H,9-10H2,1H3
InChIKeyAJCNWOXYYRDCBK-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.35
Rot. Bonds5

About methyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate

methyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate (PubChem CID 82828515) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is methyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate
PubChem CID82828515
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Namemethyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COCc2ccccc2Br)nc1
InChIInChI=1S/C15H14BrNO3/c1-19-15(18)11-6-7-13(17-8-11)10-20-9-12-4-2-3-5-14(12)16/h2-8H,9-10H2,1H3
InChIKeyAJCNWOXYYRDCBK-UHFFFAOYSA-N
XLogP3.35
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
CID 83214326
(2-bromophenyl)methyl 6-aminopyridine-3-carboxylate
CID 82824568
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-[(2-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate
CID 32812277
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
methyl 6-[(4-bromo-3,5-dimethylphenoxy)methyl]pyridine-3-carboxylate
CID 107722368
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
methyl 4-[(5-bromo-2-pyridinyl)methoxy]benzoate
CID 104795982
methyl 6-[(2-methylpropoxyamino)methyl]pyridine-3-carboxylate
CID 82715949
methyl 6-[(3-amino-5-bromophenoxy)methyl]pyridine-3-carboxylate
CID 103588331
methyl 6-[(4-oxocyclohexyl)oxymethyl]pyridine-3-carboxylate
CID 113414185
1-bromo-2-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 15050628

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate (CID 82828515) is methyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate is COC(=O)c1ccc(COCc2ccccc2Br)nc1.
What is the InChIKey of methyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate?
The InChIKey is AJCNWOXYYRDCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-19-15(18)11-6-7-13(17-8-11)10-20-9-12-4-2-3-5-14(12)16/h2-8H,9-10H2,1H3.
What are the key properties of methyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate?
methyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate has a molecular weight of 336.19 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate is sourced from PubChem (CID 82828515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).