methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate

C14H11BrN2O3 — CID 103754028

IUPACmethyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccnc1Br
InChIInChI=1S/C14H11BrN2O3/c1-20-14(19)9-5-2-3-7-11(9)17-13(18)10-6-4-8-16-12(10)15/h2-8H,1H3,(H,17,18)
InChIKeyRVGDMUVBOSJVGA-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.88
Rot. Bonds3

About methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate

methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate (PubChem CID 103754028) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate
PubChem CID103754028
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Namemethyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccnc1Br
InChIInChI=1S/C14H11BrN2O3/c1-20-14(19)9-5-2-3-7-11(9)17-13(18)10-6-4-8-16-12(10)15/h2-8H,1H3,(H,17,18)
InChIKeyRVGDMUVBOSJVGA-UHFFFAOYSA-N
XLogP2.88
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103752407
2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 104870910
2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 103754489
2-bromo-N-(2-chloro-4,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 103754076
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
N-(2-bromo-3-pyridinyl)-2-ethoxybenzamide
CID 103819498
methyl 2-[[2-(pyridin-4-ylmethylamino)pyridine-3-carbonyl]amino]benzoate;hydrochloride
CID 141081595
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
methyl 2-[(4,6-dimethylpyrimidine-5-carbonyl)amino]benzoate
CID 110861617
methyl 2-(pyridazine-4-carbonylamino)benzoate
CID 112706538

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate (CID 103754028) is methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cccnc1Br.
What is the InChIKey of methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate?
The InChIKey is RVGDMUVBOSJVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-20-14(19)9-5-2-3-7-11(9)17-13(18)10-6-4-8-16-12(10)15/h2-8H,1H3,(H,17,18).
What are the key properties of methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate?
methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate has a molecular weight of 335.16 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 103754028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).