methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate

C15H14BrNO2 — CID 134280333

IUPACmethyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate
SMILESCCc1nc(-c2cccc(Br)c2)ccc1C(=O)OC
InChIInChI=1S/C15H14BrNO2/c1-3-13-12(15(18)19-2)7-8-14(17-13)10-5-4-6-11(16)9-10/h4-9H,3H2,1-2H3
InChIKeyAMDJOIYPOCDSBV-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.86
Rot. Bonds3

About methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate

methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate (PubChem CID 134280333) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate
PubChem CID134280333
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Namemethyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate
SMILESCCc1nc(-c2cccc(Br)c2)ccc1C(=O)OC
InChIInChI=1S/C15H14BrNO2/c1-3-13-12(15(18)19-2)7-8-14(17-13)10-5-4-6-11(16)9-10/h4-9H,3H2,1-2H3
InChIKeyAMDJOIYPOCDSBV-UHFFFAOYSA-N
XLogP3.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-ethyl-6-(3-methoxyphenyl)pyridine-3-carboxylate
CID 134280348
ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate
CID 116532844
6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
CID 30796992
methyl 6-(3-bromophenyl)-1-ethyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19585747
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
methyl 6-(3-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 19497977
methyl 3-(3-bromophenyl)-1H-pyrazole-5-carboxylate
CID 45496305
2-ethyl-6-phenylpyridine-3-carboxylic acid
CID 91810897
methyl 2-(3-bromophenyl)-5-ethyl-1H-imidazole-4-carboxylate
CID 61410605
methyl 2-(3-bromophenyl)-4-propyl-1,3-thiazole-5-carboxylate
CID 114374877
6-(3-bromophenyl)-N-(1-hydroxypropan-2-yl)-2-methylpyridine-3-carboxamide
CID 110887368
methyl 4-amino-2-(3-bromophenyl)pyrimidine-5-carboxylate
CID 116646647

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate (CID 134280333) is methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate is CCc1nc(-c2cccc(Br)c2)ccc1C(=O)OC.
What is the InChIKey of methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate?
The InChIKey is AMDJOIYPOCDSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-3-13-12(15(18)19-2)7-8-14(17-13)10-5-4-6-11(16)9-10/h4-9H,3H2,1-2H3.
What are the key properties of methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate?
methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate has a molecular weight of 320.19 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-bromophenyl)-2-ethylpyridine-3-carboxylate is sourced from PubChem (CID 134280333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).