methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate

C8H7BrClNO2 — CID 135240587

IUPACmethyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(Br)c(C)cc1Cl
InChIInChI=1S/C8H7BrClNO2/c1-4-3-5(10)6(8(12)13-2)11-7(4)9/h3H,1-2H3
InChIKeyIFYKOOXUTUDJPQ-UHFFFAOYSA-N
MW264.51 g/mol
LogP2.59
Rot. Bonds1

About methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate

methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate (PubChem CID 135240587) has the molecular formula C8H7BrClNO2 and a molecular weight of 264.51 g/mol. Its IUPAC name is methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate
PubChem CID135240587
Molecular FormulaC8H7BrClNO2
Molecular Weight264.51 g/mol
Exact Mass262.93
IUPAC Namemethyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(Br)c(C)cc1Cl
InChIInChI=1S/C8H7BrClNO2/c1-4-3-5(10)6(8(12)13-2)11-7(4)9/h3H,1-2H3
InChIKeyIFYKOOXUTUDJPQ-UHFFFAOYSA-N
XLogP2.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-6-bromo-3-methylpyridine-2-carboxylate
CID 84728484
methyl 3-chloro-6-[2-chloro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylate
CID 142574271
1-(6-bromo-3,5-dimethyl-2-pyridinyl)ethanone
CID 84820064
methyl 3-amino-5,6-dibromopyrazine-2-carboxylate
CID 141482707
methyl 6-bromo-4-chloro-3-(difluoromethyl)pyridine-2-carboxylate
CID 130108301
methyl 3-chloro-6-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 142574254
methyl 3-chloro-1,8-naphthyridine-2-carboxylate
CID 174912004
3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid
CID 162377384
ethane;methyl 6-bromo-3-methylpyridine-2-carboxylate
CID 169269843
methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate
CID 166584197
ethyl 6-bromo-3-(ethylamino)-5-methylpyridine-2-carboxylate
CID 166990226
methyl 4-bromo-3-hydroxy-6-methylpyridine-2-carboxylate
CID 142367193

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate?
The IUPAC name of methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate (CID 135240587) is methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate is COC(=O)c1nc(Br)c(C)cc1Cl.
What is the InChIKey of methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate?
The InChIKey is IFYKOOXUTUDJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO2/c1-4-3-5(10)6(8(12)13-2)11-7(4)9/h3H,1-2H3.
What are the key properties of methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate?
methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate has a molecular weight of 264.51 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 135240587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).