2-[2-amino-4,5-difluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C13H8F5N3O — CID 177139287

IUPAC2-[2-amino-4,5-difluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2cc(F)c(F)c(C(F)(F)F)c2N)c1
InChIInChI=1S/C13H8F5N3O/c14-7-4-6(8-3-5(12(20)22)1-2-21-8)11(19)9(10(7)15)13(16,17)18/h1-4H,19H2,(H2,20,22)
InChIKeyPLPCIUAOIMXSNO-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.73
Rot. Bonds2

About 2-[2-amino-4,5-difluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide

2-[2-amino-4,5-difluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 177139287) has the molecular formula C13H8F5N3O and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-[2-amino-4,5-difluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-amino-4,5-difluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID177139287
Molecular FormulaC13H8F5N3O
Molecular Weight317.22 g/mol
Exact Mass317.06
IUPAC Name2-[2-amino-4,5-difluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(-c2cc(F)c(F)c(C(F)(F)F)c2N)c1
InChIInChI=1S/C13H8F5N3O/c14-7-4-6(8-3-5(12(20)22)1-2-21-8)11(19)9(10(7)15)13(16,17)18/h1-4H,19H2,(H2,20,22)
InChIKeyPLPCIUAOIMXSNO-UHFFFAOYSA-N
XLogP2.73
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4,5-difluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-[2-amino-4,5-difluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 177139287) is 2-[2-amino-4,5-difluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-amino-4,5-difluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[2-amino-4,5-difluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide is NC(=O)c1ccnc(-c2cc(F)c(F)c(C(F)(F)F)c2N)c1.
What is the InChIKey of 2-[2-amino-4,5-difluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is PLPCIUAOIMXSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F5N3O/c14-7-4-6(8-3-5(12(20)22)1-2-21-8)11(19)9(10(7)15)13(16,17)18/h1-4H,19H2,(H2,20,22).
What are the key properties of 2-[2-amino-4,5-difluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
2-[2-amino-4,5-difluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 317.22 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4,5-difluoro-3-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 177139287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).