6-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-2-carboxamide

C10H9F3N2O2 — CID 106213890

IUPAC6-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1cccc(=O)[nH]1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)9(4-5-9)15-8(17)6-2-1-3-7(16)14-6/h1-3H,4-5H2,(H,14,16)(H,15,17)
InChIKeyYXKYVQNJTCEVCX-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.20
Rot. Bonds2

About 6-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-2-carboxamide

6-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-2-carboxamide (PubChem CID 106213890) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 6-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-2-carboxamide
PubChem CID106213890
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name6-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1cccc(=O)[nH]1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)9(4-5-9)15-8(17)6-2-1-3-7(16)14-6/h1-3H,4-5H2,(H,14,16)(H,15,17)
InChIKeyYXKYVQNJTCEVCX-UHFFFAOYSA-N
XLogP1.20
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-2-carboxamide?
The IUPAC name of 6-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-2-carboxamide (CID 106213890) is 6-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-2-carboxamide is O=C(NC1(C(F)(F)F)CC1)c1cccc(=O)[nH]1.
What is the InChIKey of 6-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-2-carboxamide?
The InChIKey is YXKYVQNJTCEVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)9(4-5-9)15-8(17)6-2-1-3-7(16)14-6/h1-3H,4-5H2,(H,14,16)(H,15,17).
What are the key properties of 6-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-2-carboxamide?
6-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-2-carboxamide has a molecular weight of 246.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-2-carboxamide is sourced from PubChem (CID 106213890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).