N-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide

C12H9BrFN3O2 — CID 107013249

IUPACN-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide
SMILESNc1cnc(NC(=O)c2c(O)cccc2F)c(Br)c1
InChIInChI=1S/C12H9BrFN3O2/c13-7-4-6(15)5-16-11(7)17-12(19)10-8(14)2-1-3-9(10)18/h1-5,18H,15H2,(H,16,17,19)
InChIKeyYQZKYNVEBYKMMI-UHFFFAOYSA-N
MW326.12 g/mol
LogP2.52
Rot. Bonds2

About N-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide

N-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide (PubChem CID 107013249) has the molecular formula C12H9BrFN3O2 and a molecular weight of 326.12 g/mol. Its IUPAC name is N-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide
PubChem CID107013249
Molecular FormulaC12H9BrFN3O2
Molecular Weight326.12 g/mol
Exact Mass324.99
IUPAC NameN-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide
SMILESNc1cnc(NC(=O)c2c(O)cccc2F)c(Br)c1
InChIInChI=1S/C12H9BrFN3O2/c13-7-4-6(15)5-16-11(7)17-12(19)10-8(14)2-1-3-9(10)18/h1-5,18H,15H2,(H,16,17,19)
InChIKeyYQZKYNVEBYKMMI-UHFFFAOYSA-N
XLogP2.52
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.12
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide
CID 104929862
N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide
CID 107937535
N-(6-amino-3-pyridinyl)-2-fluoro-6-hydroxybenzamide
CID 107015825
3-bromo-2-N-(2,3-difluorophenyl)pyridine-2,5-diamine
CID 79532373
N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide
CID 107687612
N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
CID 115910717
N-(2-bromo-4-chlorophenyl)-2-fluoro-6-hydroxybenzamide
CID 107015030
2-fluoro-N-(5-fluoro-3-pyridinyl)-6-hydroxybenzamide
CID 114217702
N-(5-amino-3-bromo-2-pyridinyl)-3-bromo-5-chlorobenzamide
CID 107937536
N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide
CID 135066630
N-(5-amino-3-bromo-2-pyridinyl)-1-methylindazole-3-carboxamide
CID 103116225
N-(5-amino-2-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 115736640

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide (CID 107013249) is N-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide is Nc1cnc(NC(=O)c2c(O)cccc2F)c(Br)c1.
What is the InChIKey of N-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is YQZKYNVEBYKMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O2/c13-7-4-6(15)5-16-11(7)17-12(19)10-8(14)2-1-3-9(10)18/h1-5,18H,15H2,(H,16,17,19).
What are the key properties of N-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide?
N-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 326.12 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107013249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).