methyl 3-[[2-(2-bromophenyl)acetyl]amino]pyridine-2-carboxylate

C15H13BrN2O3 — CID 122147311

IUPACmethyl 3-[[2-(2-bromophenyl)acetyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1NC(=O)Cc1ccccc1Br
InChIInChI=1S/C15H13BrN2O3/c1-21-15(20)14-12(7-4-8-17-14)18-13(19)9-10-5-2-3-6-11(10)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyHMJAPPMYFOPYPC-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.81
Rot. Bonds4

About methyl 3-[[2-(2-bromophenyl)acetyl]amino]pyridine-2-carboxylate

methyl 3-[[2-(2-bromophenyl)acetyl]amino]pyridine-2-carboxylate (PubChem CID 122147311) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is methyl 3-[[2-(2-bromophenyl)acetyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-bromophenyl)acetyl]amino]pyridine-2-carboxylate
PubChem CID122147311
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Namemethyl 3-[[2-(2-bromophenyl)acetyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1NC(=O)Cc1ccccc1Br
InChIInChI=1S/C15H13BrN2O3/c1-21-15(20)14-12(7-4-8-17-14)18-13(19)9-10-5-2-3-6-11(10)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyHMJAPPMYFOPYPC-UHFFFAOYSA-N
XLogP2.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2-methylphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740245
3-[[2-(2-fluorophenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740235
methyl 3-[2-(2-bromophenyl)-1-sulfanylethyl]pyrazine-2-carboxylate
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3-bromo-N-[2-(hydroxymethyl)phenyl]pyridine-2-carboxamide
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CID 66639652
2-(2-bromophenyl)-N-(4-methoxyphenyl)acetamide
CID 51057355
2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
CID 113042022
ethyl 3-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]pyridine-2-carboxylate
CID 75373207
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
N-(2-bromophenyl)-2-(2-nitrophenyl)acetamide
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2-(2-bromophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 102584550

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-bromophenyl)acetyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[[2-(2-bromophenyl)acetyl]amino]pyridine-2-carboxylate (CID 122147311) is methyl 3-[[2-(2-bromophenyl)acetyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(2-bromophenyl)acetyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(2-bromophenyl)acetyl]amino]pyridine-2-carboxylate is COC(=O)c1ncccc1NC(=O)Cc1ccccc1Br.
What is the InChIKey of methyl 3-[[2-(2-bromophenyl)acetyl]amino]pyridine-2-carboxylate?
The InChIKey is HMJAPPMYFOPYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-21-15(20)14-12(7-4-8-17-14)18-13(19)9-10-5-2-3-6-11(10)16/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of methyl 3-[[2-(2-bromophenyl)acetyl]amino]pyridine-2-carboxylate?
methyl 3-[[2-(2-bromophenyl)acetyl]amino]pyridine-2-carboxylate has a molecular weight of 349.18 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-bromophenyl)acetyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 122147311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).