methyl 2-(2-bromoethyl)-6-chloro-4-methylpyridine-3-carboxylate

C10H11BrClNO2 — CID 174685000

IUPACmethyl 2-(2-bromoethyl)-6-chloro-4-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)cc(Cl)nc1CCBr
InChIInChI=1S/C10H11BrClNO2/c1-6-5-8(12)13-7(3-4-11)9(6)10(14)15-2/h5H,3-4H2,1-2H3
InChIKeyUNHXTXZZBAMFFV-UHFFFAOYSA-N
MW292.56 g/mol
LogP2.77
Rot. Bonds3

About methyl 2-(2-bromoethyl)-6-chloro-4-methylpyridine-3-carboxylate

methyl 2-(2-bromoethyl)-6-chloro-4-methylpyridine-3-carboxylate (PubChem CID 174685000) has the molecular formula C10H11BrClNO2 and a molecular weight of 292.56 g/mol. Its IUPAC name is methyl 2-(2-bromoethyl)-6-chloro-4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-bromoethyl)-6-chloro-4-methylpyridine-3-carboxylate
PubChem CID174685000
Molecular FormulaC10H11BrClNO2
Molecular Weight292.56 g/mol
Exact Mass290.97
IUPAC Namemethyl 2-(2-bromoethyl)-6-chloro-4-methylpyridine-3-carboxylate
SMILESCOC(=O)c1c(C)cc(Cl)nc1CCBr
InChIInChI=1S/C10H11BrClNO2/c1-6-5-8(12)13-7(3-4-11)9(6)10(14)15-2/h5H,3-4H2,1-2H3
InChIKeyUNHXTXZZBAMFFV-UHFFFAOYSA-N
XLogP2.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-chloro-2-(3-methoxy-3-oxopropyl)-4-methylpyridine-3-carboxylate
CID 129071497
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
2-bromo-6-chloro-4-methylpyridine-3-carboxylic acid
CID 168844397
ethane;methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 142241895
methyl 2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 134662547
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate
CID 130073398
2,6-dichloro-4-methylpyridine-3-carboxylate
CID 4062420
methyl 2-(chloromethyl)-4-methoxy-6-methylbenzoate
CID 171022992
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 113252047
methyl 4-chloro-2,6-diiodobenzoate
CID 130775245
methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate
CID 115036911

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromoethyl)-6-chloro-4-methylpyridine-3-carboxylate?
The IUPAC name of methyl 2-(2-bromoethyl)-6-chloro-4-methylpyridine-3-carboxylate (CID 174685000) is methyl 2-(2-bromoethyl)-6-chloro-4-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(2-bromoethyl)-6-chloro-4-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-(2-bromoethyl)-6-chloro-4-methylpyridine-3-carboxylate is COC(=O)c1c(C)cc(Cl)nc1CCBr.
What is the InChIKey of methyl 2-(2-bromoethyl)-6-chloro-4-methylpyridine-3-carboxylate?
The InChIKey is UNHXTXZZBAMFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2/c1-6-5-8(12)13-7(3-4-11)9(6)10(14)15-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl 2-(2-bromoethyl)-6-chloro-4-methylpyridine-3-carboxylate?
methyl 2-(2-bromoethyl)-6-chloro-4-methylpyridine-3-carboxylate has a molecular weight of 292.56 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromoethyl)-6-chloro-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 174685000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).