N-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide

C12H8F3N3O — CID 65100279

IUPACN-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide
SMILESNc1ccc(NC(=O)c2c(F)cc(F)cc2F)cn1
InChIInChI=1S/C12H8F3N3O/c13-6-3-8(14)11(9(15)4-6)12(19)18-7-1-2-10(16)17-5-7/h1-5H,(H2,16,17)(H,18,19)
InChIKeyXPPLDRUOEKVEJZ-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.33
Rot. Bonds2

About N-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide

N-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide (PubChem CID 65100279) has the molecular formula C12H8F3N3O and a molecular weight of 267.21 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide
PubChem CID65100279
Molecular FormulaC12H8F3N3O
Molecular Weight267.21 g/mol
Exact Mass267.06
IUPAC NameN-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide
SMILESNc1ccc(NC(=O)c2c(F)cc(F)cc2F)cn1
InChIInChI=1S/C12H8F3N3O/c13-6-3-8(14)11(9(15)4-6)12(19)18-7-1-2-10(16)17-5-7/h1-5H,(H2,16,17)(H,18,19)
InChIKeyXPPLDRUOEKVEJZ-UHFFFAOYSA-N
XLogP2.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-amino-3-pyridinyl)-2-fluoro-6-hydroxybenzamide
CID 107015825
6-amino-N-(3,5-difluorophenyl)pyridine-3-carboxamide
CID 62154384
N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide
CID 79767572
N-(6-amino-3-pyridinyl)-4-hydroxybenzamide
CID 62900503
N-(4-bromophenyl)-2,4,6-trifluorobenzamide
CID 65098972
N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide
CID 62901689
N-[6-[(2,5-difluorophenyl)methyl]-3-pyridinyl]-2,6-difluorobenzamide
CID 58486951
N-(6-amino-3-pyridinyl)-4-chloro-2-hydroxybenzamide
CID 55132975
N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide
CID 65100627
N-(6-amino-3-pyridinyl)-4-iodobenzamide
CID 55132398
N-(6-amino-3-pyridinyl)-3,4-dimethylbenzamide
CID 62899740
N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide
CID 103806405

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide (CID 65100279) is N-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide is Nc1ccc(NC(=O)c2c(F)cc(F)cc2F)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide?
The InChIKey is XPPLDRUOEKVEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O/c13-6-3-8(14)11(9(15)4-6)12(19)18-7-1-2-10(16)17-5-7/h1-5H,(H2,16,17)(H,18,19).
What are the key properties of N-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide?
N-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide has a molecular weight of 267.21 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-2,4,6-trifluorobenzamide is sourced from PubChem (CID 65100279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).