6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid

C13H8BrFN2O3 — CID 63642371

IUPAC6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid
SMILESO=C(Nc1cccc(C(=O)O)n1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H8BrFN2O3/c14-8-4-7(5-9(15)6-8)12(18)17-11-3-1-2-10(16-11)13(19)20/h1-6H,(H,19,20)(H,16,17,18)
InChIKeyRTNZLTRUDQIPCL-UHFFFAOYSA-N
MW339.12 g/mol
LogP2.93
Rot. Bonds3

About 6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid

6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid (PubChem CID 63642371) has the molecular formula C13H8BrFN2O3 and a molecular weight of 339.12 g/mol. Its IUPAC name is 6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid
PubChem CID63642371
Molecular FormulaC13H8BrFN2O3
Molecular Weight339.12 g/mol
Exact Mass337.97
IUPAC Name6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid
SMILESO=C(Nc1cccc(C(=O)O)n1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H8BrFN2O3/c14-8-4-7(5-9(15)6-8)12(18)17-11-3-1-2-10(16-11)13(19)20/h1-6H,(H,19,20)(H,16,17,18)
InChIKeyRTNZLTRUDQIPCL-UHFFFAOYSA-N
XLogP2.93
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.12
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-fluorobenzoyl)amino]pyridine-2-carboxylic acid
CID 63643772
3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 114022639
6-[(3-hydroxybenzoyl)amino]pyridine-2-carboxylic acid
CID 55249899
6-[(6-fluoropyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 114036709
3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832762
2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 43248205
2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107047530
N-(2-amino-6-fluorophenyl)-3-bromo-5-fluorobenzamide
CID 81313883
6-[(5-bromo-4-methylthiophene-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 79981535
3-[(3-bromo-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262243
6-(1H-indole-6-carbonylamino)pyridine-2-carboxylic acid
CID 63749854
6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
CID 63644130

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid (CID 63642371) is 6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid is O=C(Nc1cccc(C(=O)O)n1)c1cc(F)cc(Br)c1.
What is the InChIKey of 6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid?
The InChIKey is RTNZLTRUDQIPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O3/c14-8-4-7(5-9(15)6-8)12(18)17-11-3-1-2-10(16-11)13(19)20/h1-6H,(H,19,20)(H,16,17,18).
What are the key properties of 6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid?
6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid has a molecular weight of 339.12 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63642371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).