4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde

C8H5F4NO3 — CID 118811740

IUPAC4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(=O)cc(CF)c1OC(F)(F)F
InChIInChI=1S/C8H5F4NO3/c9-2-4-1-6(15)13-5(3-14)7(4)16-8(10,11)12/h1,3H,2H2,(H,13,15)
InChIKeyBVMMIBZOSDEHBC-UHFFFAOYSA-N
MW239.12 g/mol
LogP1.56
Rot. Bonds3

About 4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde

4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde (PubChem CID 118811740) has the molecular formula C8H5F4NO3 and a molecular weight of 239.12 g/mol. Its IUPAC name is 4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde
PubChem CID118811740
Molecular FormulaC8H5F4NO3
Molecular Weight239.12 g/mol
Exact Mass239.02
IUPAC Name4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde
SMILESO=Cc1[nH]c(=O)cc(CF)c1OC(F)(F)F
InChIInChI=1S/C8H5F4NO3/c9-2-4-1-6(15)13-5(3-14)7(4)16-8(10,11)12/h1,3H,2H2,(H,13,15)
InChIKeyBVMMIBZOSDEHBC-UHFFFAOYSA-N
XLogP1.56
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111993
2-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbaldehyde
CID 130112501
5-(fluoromethyl)-3-iodo-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 134665423
4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 118806796
2-[4-(bromomethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile
CID 134678432
2-[2-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-4-yl]acetic acid
CID 118821173
2-nitro-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbaldehyde
CID 134678369
6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile
CID 133087830
2-[4-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetic acid
CID 134664501
ethyl 2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134662070
4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130093802
4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 119010745

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde?
The IUPAC name of 4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde (CID 118811740) is 4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde is O=Cc1[nH]c(=O)cc(CF)c1OC(F)(F)F.
What is the InChIKey of 4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde?
The InChIKey is BVMMIBZOSDEHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO3/c9-2-4-1-6(15)13-5(3-14)7(4)16-8(10,11)12/h1,3H,2H2,(H,13,15).
What are the key properties of 4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde?
4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde has a molecular weight of 239.12 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 118811740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).