N-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide

C7H5F3N2O2 — CID 174589457

IUPACN-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide
SMILESO=CNc1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)5-2-1-4(11-3-13)6(14)12-5/h1-3H,(H,11,13)(H,12,14)
InChIKeyOWUNFMTYHVPZAJ-UHFFFAOYSA-N
MW206.12 g/mol
LogP0.96
Rot. Bonds2

About N-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide

N-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide (PubChem CID 174589457) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is N-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide.

Molecular Properties

Compound NameN-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide
PubChem CID174589457
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC NameN-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide
SMILESO=CNc1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)5-2-1-4(11-3-13)6(14)12-5/h1-3H,(H,11,13)(H,12,14)
InChIKeyOWUNFMTYHVPZAJ-UHFFFAOYSA-N
XLogP0.96
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-6-(trifluoromethyl)-1,2-dihydropyridin-2-one hydrochloride
CID 119030935
2,2,2-trifluoro-N-(2-hydroxypyridin-3-yl)acetamide
CID 18672177
3-Amino-6-(trifluoromethyl)pyridin-2-ol
CID 39871634
1-Ethyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
CID 118865132
1-Methyl-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
CID 118865145
N-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 132019946
1-Methoxy-3-(methylamino)-6-(trifluoromethyl)pyridin-2-one
CID 134466823
6-fluoro-3-(methylamino)-1H-pyridin-2-one
CID 143915058
3-(methylamino)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 154403426
N-[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]formamide
CID 174589451
N-[5-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide
CID 174589532
N-[6-(difluoromethyl)-2-oxo-1-propan-2-yl-3-pyridinyl]formamide
CID 174604341

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide?
The IUPAC name of N-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide (CID 174589457) is N-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide.
What is the SMILES notation for N-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide?
The canonical SMILES for N-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide is O=CNc1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide?
The InChIKey is OWUNFMTYHVPZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)5-2-1-4(11-3-13)6(14)12-5/h1-3H,(H,11,13)(H,12,14).
What are the key properties of N-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide?
N-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide has a molecular weight of 206.12 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide is sourced from PubChem (CID 174589457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).