N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C11H11F3N2O2 — CID 126856476

IUPACN-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCC1O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)9-4-1-6(5-15-9)10(18)16-7-2-3-8(7)17/h1,4-5,7-8,17H,2-3H2,(H,16,18)
InChIKeyXIMCCHLEKUNTTG-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.35
Rot. Bonds2

About N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 126856476) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID126856476
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC NameN-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCC1O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)9-4-1-6(5-15-9)10(18)16-7-2-3-8(7)17/h1,4-5,7-8,17H,2-3H2,(H,16,18)
InChIKeyXIMCCHLEKUNTTG-UHFFFAOYSA-N
XLogP1.35
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 126856476) is N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(NC1CCC1O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XIMCCHLEKUNTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)9-4-1-6(5-15-9)10(18)16-7-2-3-8(7)17/h1,4-5,7-8,17H,2-3H2,(H,16,18).
What are the key properties of N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 260.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 126856476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).