methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate

C8H8BrNO3 — CID 134206230

IUPACmethyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(CO)c(Br)c1
InChIInChI=1S/C8H8BrNO3/c1-13-8(12)5-2-6(9)7(4-11)10-3-5/h2-3,11H,4H2,1H3
InChIKeyYUCUMUOFCHDXNW-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.12
Rot. Bonds2

About methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate

methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate (PubChem CID 134206230) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate
PubChem CID134206230
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Namemethyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(CO)c(Br)c1
InChIInChI=1S/C8H8BrNO3/c1-13-8(12)5-2-6(9)7(4-11)10-3-5/h2-3,11H,4H2,1H3
InChIKeyYUCUMUOFCHDXNW-UHFFFAOYSA-N
XLogP1.12
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(hydroxymethyl)-5-methylpyridine-3-carboxylate
CID 127263097
methyl 5-bromo-6-hydrazinylpyridine-3-carboxylate
CID 58208024
methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate
CID 68754647
dimethyl 2-(cyanomethyl)pyridine-3,5-dicarboxylate
CID 155921153
dimethyl 2,6-dibromobenzene-1,4-dicarboxylate
CID 23245049
methyl 6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 134664019
methyl 5-bromo-6-(ethoxycarbonylcarbamothioylamino)pyridine-3-carboxylate
CID 138491332
methyl 2-bromothieno[3,2-b]pyridine-6-carboxylate
CID 117275214
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 5-bromoquinazoline-7-carboxylate
CID 171373776
methyl 4-bromo-3-(hydroxymethyl)-5-methoxybenzoate
CID 67562567
methyl 2-(3-bromo-5-methoxy-2-pyridinyl)acetate
CID 133098119

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate (CID 134206230) is methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate is COC(=O)c1cnc(CO)c(Br)c1.
What is the InChIKey of methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate?
The InChIKey is YUCUMUOFCHDXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c1-13-8(12)5-2-6(9)7(4-11)10-3-5/h2-3,11H,4H2,1H3.
What are the key properties of methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate?
methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate has a molecular weight of 246.06 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-6-(hydroxymethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134206230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).