4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide

C9H9F3N2O3 — CID 103337597

IUPAC4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1c[nH]ccc1=O
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)7(16)4-14-8(17)5-3-13-2-1-6(5)15/h1-3,7,16H,4H2,(H,13,15)(H,14,17)
InChIKeyHPVLVDOGPKWIAF-UHFFFAOYSA-N
MW250.18 g/mol
LogP0.03
Rot. Bonds3

About 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide

4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide (PubChem CID 103337597) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide
PubChem CID103337597
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1c[nH]ccc1=O
InChIInChI=1S/C9H9F3N2O3/c10-9(11,12)7(16)4-14-8(17)5-3-13-2-1-6(5)15/h1-3,7,16H,4H2,(H,13,15)(H,14,17)
InChIKeyHPVLVDOGPKWIAF-UHFFFAOYSA-N
XLogP0.03
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide (CID 103337597) is 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide is O=C(NCC(O)C(F)(F)F)c1c[nH]ccc1=O.
What is the InChIKey of 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide?
The InChIKey is HPVLVDOGPKWIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c10-9(11,12)7(16)4-14-8(17)5-3-13-2-1-6(5)15/h1-3,7,16H,4H2,(H,13,15)(H,14,17).
What are the key properties of 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide?
4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide has a molecular weight of 250.18 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).