methyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate

C14H11BrN2O3 — CID 720040

IUPACmethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C14H11BrN2O3/c1-20-14(19)11-4-2-3-5-12(11)17-13(18)9-6-10(15)8-16-7-9/h2-8H,1H3,(H,17,18)
InChIKeyLMRCWCWWSZTHTB-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.88
Rot. Bonds3

About methyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate

methyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate (PubChem CID 720040) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is methyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate
PubChem CID720040
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Namemethyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cncc(Br)c1
InChIInChI=1S/C14H11BrN2O3/c1-20-14(19)11-4-2-3-5-12(11)17-13(18)9-6-10(15)8-16-7-9/h2-8H,1H3,(H,17,18)
InChIKeyLMRCWCWWSZTHTB-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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate (CID 720040) is methyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cncc(Br)c1.
What is the InChIKey of methyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate?
The InChIKey is LMRCWCWWSZTHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-20-14(19)11-4-2-3-5-12(11)17-13(18)9-6-10(15)8-16-7-9/h2-8H,1H3,(H,17,18).
What are the key properties of methyl 2-[(5-bromopyridine-3-carbonyl)amino]benzoate?
methyl 2-[(5-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-[(5-bromopyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 720040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).