methyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate

C15H13BrClNO2 — CID 134280354

IUPACmethyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cccc(Cl)c2)nc1C(C)Br
InChIInChI=1S/C15H13BrClNO2/c1-9(16)14-12(15(19)20-2)6-7-13(18-14)10-4-3-5-11(17)8-10/h3-9H,1-2H3
InChIKeyPJIKMDUGWSLGKC-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.64
Rot. Bonds3

About methyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate

methyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate (PubChem CID 134280354) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is methyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate
PubChem CID134280354
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Namemethyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2cccc(Cl)c2)nc1C(C)Br
InChIInChI=1S/C15H13BrClNO2/c1-9(16)14-12(15(19)20-2)6-7-13(18-14)10-4-3-5-11(17)8-10/h3-9H,1-2H3
InChIKeyPJIKMDUGWSLGKC-UHFFFAOYSA-N
XLogP4.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.64
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

ethyl 6-(3-chlorophenyl)-2-propan-2-ylpyridine-3-carboxylate
CID 116533326
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
methyl 2-(3-chlorophenyl)-5-hydroxy-1,7-naphthyridine-6-carboxylate
CID 137305874
methyl 3-(3-chlorophenyl)-1,2-thiazole-5-carboxylate
CID 13073226
methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate
CID 134280333
6-(3-chlorophenyl)-2-(2-methoxyethylamino)-N-methylpyridine-3-carboxamide
CID 126473970
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624
6-(3-fluorophenyl)-3-methoxycarbonylpyridine-2-carboxylic acid
CID 97181116
methyl 5-bromo-6-(3-chlorophenyl)pyrazine-2-carboxylate
CID 86682315
methyl 2-ethyl-6-(3-methoxyphenyl)pyridine-3-carboxylate
CID 134280348
methyl 4-(3-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylate
CID 117222880
methyl 5-(3-bromophenyl)-2-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565527

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate (CID 134280354) is methyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate is COC(=O)c1ccc(-c2cccc(Cl)c2)nc1C(C)Br.
What is the InChIKey of methyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate?
The InChIKey is PJIKMDUGWSLGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-9(16)14-12(15(19)20-2)6-7-13(18-14)10-4-3-5-11(17)8-10/h3-9H,1-2H3.
What are the key properties of methyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate?
methyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate has a molecular weight of 354.63 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-bromoethyl)-6-(3-chlorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 134280354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).