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

C14H11BrN2O3 — CID 62958863

IUPACmethyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(Br)cn2)c1
InChIInChI=1S/C14H11BrN2O3/c1-20-14(19)9-3-2-4-11(7-9)17-13(18)12-6-5-10(15)8-16-12/h2-8H,1H3,(H,17,18)
InChIKeyALMSWQOBQSZSDS-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.88
Rot. Bonds3

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

methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate (PubChem CID 62958863) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
PubChem CID62958863
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Namemethyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(Br)cn2)c1
InChIInChI=1S/C14H11BrN2O3/c1-20-14(19)9-3-2-4-11(7-9)17-13(18)12-6-5-10(15)8-16-12/h2-8H,1H3,(H,17,18)
InChIKeyALMSWQOBQSZSDS-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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Related Compounds

methyl 3-[(5-chloropyrazine-2-carbonyl)amino]benzoate
CID 103817046
methyl 3-[[5-(4-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199300
methyl 3-[[6-(phenylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109197014
methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107
methyl 3-(pyrimidine-4-carbonylamino)benzoate
CID 110699213
methyl 3-[[5-(butan-2-ylamino)pyridine-2-carbonyl]amino]benzoate
CID 109181726
methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate
CID 62954229
5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 55153069
methyl 3-[[5-(2-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199140
methyl 3-[(5-bromopyridine-2-carbonyl)amino]-4-fluorobenzoate
CID 62953371
methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate
CID 65311803
methyl 3-[(4-methylpyridine-2-carbonyl)amino]benzoate
CID 110861657

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate (CID 62958863) is methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(Br)cn2)c1.
What is the InChIKey of methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate?
The InChIKey is ALMSWQOBQSZSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-20-14(19)9-3-2-4-11(7-9)17-13(18)12-6-5-10(15)8-16-12/h2-8H,1H3,(H,17,18).
What are the key properties of methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate?
methyl 3-[(5-bromopyridine-2-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 3-[(5-bromopyridine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 62958863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).