4-(aminomethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C9H10F3N3O — CID 122516149

IUPAC4-(aminomethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESNCc1ccnc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)5-15-8(16)7-3-6(4-13)1-2-14-7/h1-3H,4-5,13H2,(H,15,16)
InChIKeyMQIRAGYSRFWVAI-UHFFFAOYSA-N
MW233.19 g/mol
LogP0.83
Rot. Bonds3

About 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

4-(aminomethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 122516149) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID122516149
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name4-(aminomethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESNCc1ccnc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)5-15-8(16)7-3-6(4-13)1-2-14-7/h1-3H,4-5,13H2,(H,15,16)
InChIKeyMQIRAGYSRFWVAI-UHFFFAOYSA-N
XLogP0.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 122516149) is 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is NCc1ccnc(C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is MQIRAGYSRFWVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)5-15-8(16)7-3-6(4-13)1-2-14-7/h1-3H,4-5,13H2,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
4-(aminomethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 233.19 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 122516149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).