methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride

C8H8Br2ClNO2 — CID 146048625

IUPACmethyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(C(Br)Br)nc1.Cl
InChIInChI=1S/C8H7Br2NO2.ClH/c1-13-8(12)5-2-3-6(7(9)10)11-4-5;/h2-4,7H,1H3;1H
InChIKeySJJCUAQCOSRBQT-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.08
Rot. Bonds2

About methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride

methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride (PubChem CID 146048625) has the molecular formula C8H8Br2ClNO2 and a molecular weight of 345.42 g/mol. Its IUPAC name is methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride
PubChem CID146048625
Molecular FormulaC8H8Br2ClNO2
Molecular Weight345.42 g/mol
Exact Mass342.86
IUPAC Namemethyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc(C(Br)Br)nc1.Cl
InChIInChI=1S/C8H7Br2NO2.ClH/c1-13-8(12)5-2-3-6(7(9)10)11-4-5;/h2-4,7H,1H3;1H
InChIKeySJJCUAQCOSRBQT-UHFFFAOYSA-N
XLogP3.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.08
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

methyl 6-[(R)-bromo(phenyl)methyl]pyridine-3-carboxylate
CID 99864587
methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate
CID 146650272
methyl 6-(4-chloro-1,2-dihydroxybutyl)pyridine-3-carboxylate
CID 171894263
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate
CID 10633160
methyl 6-(trideuteriomethyl)pyridine-3-carboxylate
CID 59327576
methyl 6-methylsulfanylpyridine-3-carboxylate
CID 901959
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
methyl 6-(oxomethyl)pyridine-3-carboxylate;nickel;praseodymium
CID 20707169
methyl 6-(1-aminocyclopropyl)pyridine-3-carboxylate;hydrochloride
CID 67958246
methyl 6-(1H-pyrazol-4-yl)pyridine-3-carboxylate
CID 126673838
methyl 6-(methoxymethoxy)pyridine-3-carboxylate
CID 50896445

Frequently Asked Questions

What is the IUPAC name of methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride (CID 146048625) is methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride is COC(=O)c1ccc(C(Br)Br)nc1.Cl.
What is the InChIKey of methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride?
The InChIKey is SJJCUAQCOSRBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2NO2.ClH/c1-13-8(12)5-2-3-6(7(9)10)11-4-5;/h2-4,7H,1H3;1H.
What are the key properties of methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride?
methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride has a molecular weight of 345.42 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(dibromomethyl)pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 146048625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).