methyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate

C9H9BrN2O3 — CID 176920492

IUPACmethyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate
SMILESCNC(=O)c1ccc(Br)c(C(=O)OC)n1
InChIInChI=1S/C9H9BrN2O3/c1-11-8(13)6-4-3-5(10)7(12-6)9(14)15-2/h3-4H,1-2H3,(H,11,13)
InChIKeyPRQRZSIKADDLLX-UHFFFAOYSA-N
MW273.09 g/mol
LogP0.99
Rot. Bonds2

About methyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate

methyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate (PubChem CID 176920492) has the molecular formula C9H9BrN2O3 and a molecular weight of 273.09 g/mol. Its IUPAC name is methyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate
PubChem CID176920492
Molecular FormulaC9H9BrN2O3
Molecular Weight273.09 g/mol
Exact Mass271.98
IUPAC Namemethyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate
SMILESCNC(=O)c1ccc(Br)c(C(=O)OC)n1
InChIInChI=1S/C9H9BrN2O3/c1-11-8(13)6-4-3-5(10)7(12-6)9(14)15-2/h3-4H,1-2H3,(H,11,13)
InChIKeyPRQRZSIKADDLLX-UHFFFAOYSA-N
XLogP0.99
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-acetamido-3-bromopyridine-2-carboxylate
CID 10492453
ditert-butyl 3-bromopyridine-2,6-dicarboxylate
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methyl 5-bromo-6-methoxypyridine-2-carboxylate
CID 46311222
CID 178148091
CID 178148091
5-amino-6-methoxy-N-methylpyridine-2-carboxamide
CID 86726461
5-methoxy-N-methyl-6-nitropyridine-2-carboxamide
CID 171531875
N,5,6-trimethylpyridine-2-carboxamide
CID 131113985
methyl 3-bromo-6-(5-chloropentylamino)pyridine-2-carboxylate
CID 164864401
5-ethyl-6-methoxycarbonylpyridine-2-carboxylic acid
CID 176920520
methyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 15281236
methyl 3-bromo-1H-pyrrolo[2,3-c]pyridine-7-carboxylate
CID 71472793
1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate
CID 158994697

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate (CID 176920492) is methyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate is CNC(=O)c1ccc(Br)c(C(=O)OC)n1.
What is the InChIKey of methyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate?
The InChIKey is PRQRZSIKADDLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O3/c1-11-8(13)6-4-3-5(10)7(12-6)9(14)15-2/h3-4H,1-2H3,(H,11,13).
What are the key properties of methyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate?
methyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate has a molecular weight of 273.09 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-6-(methylcarbamoyl)pyridine-2-carboxylate is sourced from PubChem (CID 176920492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).