N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C13H10F3N3O — CID 16777614

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESNc1cc(C(F)(F)F)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)8-4-5-10(9(17)7-8)19-12(20)11-3-1-2-6-18-11/h1-7H,17H2,(H,19,20)
InChIKeyWQVZKTDMVBTLLU-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.93
Rot. Bonds2

About N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 16777614) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID16777614
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESNc1cc(C(F)(F)F)ccc1NC(=O)c1ccccn1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)8-4-5-10(9(17)7-8)19-12(20)11-3-1-2-6-18-11/h1-7H,17H2,(H,19,20)
InChIKeyWQVZKTDMVBTLLU-UHFFFAOYSA-N
XLogP2.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.93
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 N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 16777614) is N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is Nc1cc(C(F)(F)F)ccc1NC(=O)c1ccccn1.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is WQVZKTDMVBTLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-13(15,16)8-4-5-10(9(17)7-8)19-12(20)11-3-1-2-6-18-11/h1-7H,17H2,(H,19,20).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 281.24 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 16777614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).