N-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetamide

C9H6F6N2O — CID 59492312

IUPACN-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)nc(C(F)(F)F)c1
InChIInChI=1S/C9H6F6N2O/c1-4(18)16-5-2-6(8(10,11)12)17-7(3-5)9(13,14)15/h2-3H,1H3,(H,16,17,18)
InChIKeyOQXJBAGXRAERGW-UHFFFAOYSA-N
MW272.15 g/mol
LogP3.08
Rot. Bonds1

About N-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetamide

N-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetamide (PubChem CID 59492312) has the molecular formula C9H6F6N2O and a molecular weight of 272.15 g/mol. Its IUPAC name is N-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetamide
PubChem CID59492312
Molecular FormulaC9H6F6N2O
Molecular Weight272.15 g/mol
Exact Mass272.04
IUPAC NameN-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)nc(C(F)(F)F)c1
InChIInChI=1S/C9H6F6N2O/c1-4(18)16-5-2-6(8(10,11)12)17-7(3-5)9(13,14)15/h2-3H,1H3,(H,16,17,18)
InChIKeyOQXJBAGXRAERGW-UHFFFAOYSA-N
XLogP3.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetamide?
The IUPAC name of N-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetamide (CID 59492312) is N-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetamide.
What is the SMILES notation for N-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetamide?
The canonical SMILES for N-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetamide is CC(=O)Nc1cc(C(F)(F)F)nc(C(F)(F)F)c1.
What is the InChIKey of N-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetamide?
The InChIKey is OQXJBAGXRAERGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6N2O/c1-4(18)16-5-2-6(8(10,11)12)17-7(3-5)9(13,14)15/h2-3H,1H3,(H,16,17,18).
What are the key properties of N-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetamide?
N-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetamide has a molecular weight of 272.15 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis(trifluoromethyl)-4-pyridinyl]acetamide is sourced from PubChem (CID 59492312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).