6-amino-N-(2-bromo-5-methylphenyl)-3-chloropyridine-2-carboxamide

C13H11BrClN3O — CID 82758071

IUPAC6-amino-N-(2-bromo-5-methylphenyl)-3-chloropyridine-2-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2nc(N)ccc2Cl)c1
InChIInChI=1S/C13H11BrClN3O/c1-7-2-3-8(14)10(6-7)17-13(19)12-9(15)4-5-11(16)18-12/h2-6H,1H3,(H2,16,18)(H,17,19)
InChIKeyDAKQULIKAFHEFW-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.64
Rot. Bonds2

About 6-amino-N-(2-bromo-5-methylphenyl)-3-chloropyridine-2-carboxamide

6-amino-N-(2-bromo-5-methylphenyl)-3-chloropyridine-2-carboxamide (PubChem CID 82758071) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 6-amino-N-(2-bromo-5-methylphenyl)-3-chloropyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-bromo-5-methylphenyl)-3-chloropyridine-2-carboxamide
PubChem CID82758071
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name6-amino-N-(2-bromo-5-methylphenyl)-3-chloropyridine-2-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2nc(N)ccc2Cl)c1
InChIInChI=1S/C13H11BrClN3O/c1-7-2-3-8(14)10(6-7)17-13(19)12-9(15)4-5-11(16)18-12/h2-6H,1H3,(H2,16,18)(H,17,19)
InChIKeyDAKQULIKAFHEFW-UHFFFAOYSA-N
XLogP3.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide
CID 55042017
N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 104723154
5-amino-N-(2-bromo-5-methylphenyl)-2,3-dichlorobenzamide
CID 107185700
N-(2-bromo-5-methylphenyl)-2,6-dichlorobenzamide
CID 82756818
6-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62239067
6-amino-3-chloro-N-methylpyridine-2-carboxamide
CID 62156050
6-amino-3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 55042171
5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 82766729
6-amino-3-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyridine-2-carboxamide
CID 114389361
N-(2-bromo-5-methylphenyl)-2-chlorofuran-3-carboxamide
CID 106685098
N-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 82757101
3-chloro-N-(2-chloro-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 107631276

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-bromo-5-methylphenyl)-3-chloropyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(2-bromo-5-methylphenyl)-3-chloropyridine-2-carboxamide (CID 82758071) is 6-amino-N-(2-bromo-5-methylphenyl)-3-chloropyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(2-bromo-5-methylphenyl)-3-chloropyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(2-bromo-5-methylphenyl)-3-chloropyridine-2-carboxamide is Cc1ccc(Br)c(NC(=O)c2nc(N)ccc2Cl)c1.
What is the InChIKey of 6-amino-N-(2-bromo-5-methylphenyl)-3-chloropyridine-2-carboxamide?
The InChIKey is DAKQULIKAFHEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c1-7-2-3-8(14)10(6-7)17-13(19)12-9(15)4-5-11(16)18-12/h2-6H,1H3,(H2,16,18)(H,17,19).
What are the key properties of 6-amino-N-(2-bromo-5-methylphenyl)-3-chloropyridine-2-carboxamide?
6-amino-N-(2-bromo-5-methylphenyl)-3-chloropyridine-2-carboxamide has a molecular weight of 340.61 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-bromo-5-methylphenyl)-3-chloropyridine-2-carboxamide is sourced from PubChem (CID 82758071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).