N-(3-hydroxy-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide

C12H8F3N3O2 — CID 86787831

IUPACN-(3-hydroxy-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ncccc1O)c1cccnc1C(F)(F)F
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)9-7(3-1-5-16-9)11(20)18-10-8(19)4-2-6-17-10/h1-6,19H,(H,17,18,20)
InChIKeyCDNDHJKOUNBGGK-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.45
Rot. Bonds2

About N-(3-hydroxy-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide

N-(3-hydroxy-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 86787831) has the molecular formula C12H8F3N3O2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID86787831
Molecular FormulaC12H8F3N3O2
Molecular Weight283.21 g/mol
Exact Mass283.06
IUPAC NameN-(3-hydroxy-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ncccc1O)c1cccnc1C(F)(F)F
InChIInChI=1S/C12H8F3N3O2/c13-12(14,15)9-7(3-1-5-16-9)11(20)18-10-8(19)4-2-6-17-10/h1-6,19H,(H,17,18,20)
InChIKeyCDNDHJKOUNBGGK-UHFFFAOYSA-N
XLogP2.45
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide (CID 86787831) is N-(3-hydroxy-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1ncccc1O)c1cccnc1C(F)(F)F.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CDNDHJKOUNBGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O2/c13-12(14,15)9-7(3-1-5-16-9)11(20)18-10-8(19)4-2-6-17-10/h1-6,19H,(H,17,18,20).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
N-(3-hydroxy-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 283.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 86787831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).