2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride

C8H9ClF3N3O2 — CID 119112162

IUPAC2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride
SMILESCl.NCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C8H8F3N3O2.ClH/c9-8(10,11)4-1-5(7(16)13-3-4)14-6(15)2-12;/h1,3H,2,12H2,(H,13,16)(H,14,15);1H
InChIKeyPGXDMJWJKPNVMX-UHFFFAOYSA-N
MW271.63 g/mol
LogP0.71
Rot. Bonds2

About 2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride

2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride (PubChem CID 119112162) has the molecular formula C8H9ClF3N3O2 and a molecular weight of 271.63 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride
PubChem CID119112162
Molecular FormulaC8H9ClF3N3O2
Molecular Weight271.63 g/mol
Exact Mass271.03
IUPAC Name2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride
SMILESCl.NCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C8H8F3N3O2.ClH/c9-8(10,11)4-1-5(7(16)13-3-4)14-6(15)2-12;/h1,3H,2,12H2,(H,13,16)(H,14,15);1H
InChIKeyPGXDMJWJKPNVMX-UHFFFAOYSA-N
XLogP0.71
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.63
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride (CID 119112162) is 2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride is Cl.NCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride?
The InChIKey is PGXDMJWJKPNVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2.ClH/c9-8(10,11)4-1-5(7(16)13-3-4)14-6(15)2-12;/h1,3H,2,12H2,(H,13,16)(H,14,15);1H.
What are the key properties of 2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride?
2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride has a molecular weight of 271.63 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 119112162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).