methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate

C15H13BrN2O3 — CID 3240614

IUPACmethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(C)cc2Br)n1
InChIInChI=1S/C15H13BrN2O3/c1-9-6-7-11(10(16)8-9)18-14(19)12-4-3-5-13(17-12)15(20)21-2/h3-8H,1-2H3,(H,18,19)
InChIKeyZFMARULTITTYQU-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.19
Rot. Bonds3

About methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate

methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate (PubChem CID 3240614) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
PubChem CID3240614
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Namemethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc(C)cc2Br)n1
InChIInChI=1S/C15H13BrN2O3/c1-9-6-7-11(10(16)8-9)18-14(19)12-4-3-5-13(17-12)15(20)21-2/h3-8H,1-2H3,(H,18,19)
InChIKeyZFMARULTITTYQU-UHFFFAOYSA-N
XLogP3.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 5169363
6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62239067
N-(2-bromo-4-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62239243
N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313868
ethyl 6-[(2-bromo-4-nitrophenyl)carbamoyl]pyridine-2-carboxylate
CID 23735991
methyl 6-[(5-methyl-2-pyridinyl)carbamoyl]pyridine-2-carboxylate
CID 47325772
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
N-(2-bromo-4-methylphenyl)-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 47425875
methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate
CID 46394490
N-(2-bromo-4-methylphenyl)-2,6-difluorobenzamide
CID 24689737
N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide
CID 26524219
methyl 6-[(5-tert-butyl-2-hydroxyphenyl)carbamoyl]pyridine-2-carboxylate
CID 46491540

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate (CID 3240614) is methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)Nc2ccc(C)cc2Br)n1.
What is the InChIKey of methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
The InChIKey is ZFMARULTITTYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c1-9-6-7-11(10(16)8-9)18-14(19)12-4-3-5-13(17-12)15(20)21-2/h3-8H,1-2H3,(H,18,19).
What are the key properties of methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate?
methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate has a molecular weight of 349.18 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 3240614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).