2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide

C12H15F3N2O2 — CID 79869695

IUPAC2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCCCOc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C12H15F3N2O2/c1-2-3-4-7-19-11-8(10(16)18)5-6-9(17-11)12(13,14)15/h5-6H,2-4,7H2,1H3,(H2,16,18)
InChIKeyCDALSLASPOUEHF-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.77
Rot. Bonds6

About 2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide

2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79869695) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79869695
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCCCCOc1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C12H15F3N2O2/c1-2-3-4-7-19-11-8(10(16)18)5-6-9(17-11)12(13,14)15/h5-6H,2-4,7H2,1H3,(H2,16,18)
InChIKeyCDALSLASPOUEHF-UHFFFAOYSA-N
XLogP2.77
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79869695) is 2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide is CCCCCOc1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CDALSLASPOUEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-2-3-4-7-19-11-8(10(16)18)5-6-9(17-11)12(13,14)15/h5-6H,2-4,7H2,1H3,(H2,16,18).
What are the key properties of 2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide?
2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79869695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).