2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide

C12H8F3N3O — CID 62813132

IUPAC2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide
SMILESNc1ncccc1C(=O)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C12H8F3N3O/c13-6-4-8(14)10(15)9(5-6)18-12(19)7-2-1-3-17-11(7)16/h1-5H,(H2,16,17)(H,18,19)
InChIKeyQCYQJETWTBOQMI-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.33
Rot. Bonds2

About 2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide

2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide (PubChem CID 62813132) has the molecular formula C12H8F3N3O and a molecular weight of 267.21 g/mol. Its IUPAC name is 2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide
PubChem CID62813132
Molecular FormulaC12H8F3N3O
Molecular Weight267.21 g/mol
Exact Mass267.06
IUPAC Name2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide
SMILESNc1ncccc1C(=O)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C12H8F3N3O/c13-6-4-8(14)10(15)9(5-6)18-12(19)7-2-1-3-17-11(7)16/h1-5H,(H2,16,17)(H,18,19)
InChIKeyQCYQJETWTBOQMI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3,5-difluorophenyl)pyridine-3-carboxamide
CID 62154038
2-amino-N-(5-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 62154779
2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
CID 105381162
2-amino-3-chloro-N-(2,3,5-trifluorophenyl)benzamide
CID 115540640
2-amino-N-(5-chloro-2-hydroxyphenyl)pyridine-3-carboxamide
CID 82546413
3-fluoro-2-(methylamino)-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
CID 105386062
2-amino-N'-methylpyridine-3-carbohydrazide
CID 86158893
2-amino-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 63791914
5-chloro-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide
CID 62813735
2-amino-N-(2,4,6-tribromophenyl)pyridine-3-carboxamide
CID 62156294
2-amino-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 55138314
2-amino-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 62155044

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide (CID 62813132) is 2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide is Nc1ncccc1C(=O)Nc1cc(F)cc(F)c1F.
What is the InChIKey of 2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide?
The InChIKey is QCYQJETWTBOQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O/c13-6-4-8(14)10(15)9(5-6)18-12(19)7-2-1-3-17-11(7)16/h1-5H,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide?
2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide 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 2-amino-N-(2,3,5-trifluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 62813132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).