N-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C9H8F3N5O — CID 114909276

IUPACN-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILES[N-]=[N+]=NCCNC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H8F3N5O/c10-9(11,12)6-1-2-7(15-5-6)8(18)14-3-4-16-17-13/h1-2,5H,3-4H2,(H,14,18)
InChIKeyFQTSMPAEECJNKM-UHFFFAOYSA-N
MW259.19 g/mol
LogP2.14
Rot. Bonds4

About N-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide

N-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 114909276) has the molecular formula C9H8F3N5O and a molecular weight of 259.19 g/mol. Its IUPAC name is N-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID114909276
Molecular FormulaC9H8F3N5O
Molecular Weight259.19 g/mol
Exact Mass259.07
IUPAC NameN-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILES[N-]=[N+]=NCCNC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H8F3N5O/c10-9(11,12)6-1-2-7(15-5-6)8(18)14-3-4-16-17-13/h1-2,5H,3-4H2,(H,14,18)
InChIKeyFQTSMPAEECJNKM-UHFFFAOYSA-N
XLogP2.14
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971
N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113368697
N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113265555
N-(2-azidoethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55040920
N-(6-iodohexyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107848615
N-pent-4-ynyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113245115
N-(4-amino-4-sulfanylidenebutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908481
N-(2-azidoethyl)quinoxaline-2-carboxamide
CID 107356589
N-[3-(2-chloroethoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106306680
N-(4-bromopentyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106130786
N-(4-azidobutyl)-4-(trifluoromethyl)benzamide
CID 106386467
N-[(4-hydroxyphenyl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577921

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 114909276) is N-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide is [N-]=[N+]=NCCNC(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is FQTSMPAEECJNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O/c10-9(11,12)6-1-2-7(15-5-6)8(18)14-3-4-16-17-13/h1-2,5H,3-4H2,(H,14,18).
What are the key properties of N-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 259.19 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 114909276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).