5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid

C14H10Br2N2O3 — CID 114368194

IUPAC5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cc(Br)ccc2Br)cn1
InChIInChI=1S/C14H10Br2N2O3/c15-9-2-3-11(16)10(5-9)13(19)18-7-8-1-4-12(14(20)21)17-6-8/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyZNUYQJOZBYFDNT-UHFFFAOYSA-N
MW414.05 g/mol
LogP3.23
Rot. Bonds4

About 5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid

5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 114368194) has the molecular formula C14H10Br2N2O3 and a molecular weight of 414.05 g/mol. Its IUPAC name is 5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID114368194
Molecular FormulaC14H10Br2N2O3
Molecular Weight414.05 g/mol
Exact Mass411.91
IUPAC Name5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(=O)c2cc(Br)ccc2Br)cn1
InChIInChI=1S/C14H10Br2N2O3/c15-9-2-3-11(16)10(5-9)13(19)18-7-8-1-4-12(14(20)21)17-6-8/h1-6H,7H2,(H,18,19)(H,20,21)
InChIKeyZNUYQJOZBYFDNT-UHFFFAOYSA-N
XLogP3.23
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.05
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(5-bromo-2-chlorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81092297
5-[[(5-amino-2-bromobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 115297449
5-[[(4-bromo-2-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81091927
5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098591
5-[[(4-amino-3-bromobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81090066
5-[[(5-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 82871594
5-[[(2-hydroxy-5-iodobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107731417
5-[[(3-chloro-2-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81266256
5-[[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81092573
2,5-dibromo-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 104919948
5-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098454
5-[[(4-bromothiophen-2-yl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81090020

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid (CID 114368194) is 5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(CNC(=O)c2cc(Br)ccc2Br)cn1.
What is the InChIKey of 5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is ZNUYQJOZBYFDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O3/c15-9-2-3-11(16)10(5-9)13(19)18-7-8-1-4-12(14(20)21)17-6-8/h1-6H,7H2,(H,18,19)(H,20,21).
What are the key properties of 5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid?
5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 414.05 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 114368194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).