6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde

C7H4F3NO2 — CID 105444637

IUPAC6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-4(3-12)11-6(5)13/h1-3H,(H,11,13)
InChIKeyKLOPYPRHYUHKSR-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.21
Rot. Bonds1

About 6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde

6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde (PubChem CID 105444637) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
PubChem CID105444637
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-4(3-12)11-6(5)13/h1-3H,(H,11,13)
InChIKeyKLOPYPRHYUHKSR-UHFFFAOYSA-N
XLogP1.21
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 20767670
5-bromo-6-oxo-1H-pyridine-2-carbaldehyde
CID 105454038
6-ethyl-3-(trifluoromethyl)-1H-pyridin-2-one;molecular hydrogen;sulfane
CID 177016565
5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 133091494
5-[2,2,3,3,4,4,4-heptafluoro-1-(5-formyl-1H-pyrrol-2-yl)butyl]-1H-pyrrole-2-carbaldehyde
CID 101094862
5-[2-(5-formyl-1H-pyrrol-2-yl)propan-2-yl]-1H-pyrrole-2-carbaldehyde
CID 139038081
4-oxo-8-(trifluoromethyl)-3H-quinazoline-2-carbaldehyde
CID 136918023
4,7-bis(trifluoromethyl)isoindole-1,3-dione
CID 2317893
4-(trifluoromethyl)naphthalene-1-carbaldehyde
CID 18537700
2-bromo-3,4-bis(trifluoromethyl)benzaldehyde
CID 134638660
6-iodo-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130893194
6-chloro-2,3-bis(trifluoromethyl)benzaldehyde
CID 119021847

Frequently Asked Questions

What is the IUPAC name of 6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde?
The IUPAC name of 6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde (CID 105444637) is 6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde.
What is the SMILES notation for 6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde?
The canonical SMILES for 6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde is O=Cc1ccc(C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde?
The InChIKey is KLOPYPRHYUHKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-4(3-12)11-6(5)13/h1-3H,(H,11,13).
What are the key properties of 6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde?
6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde has a molecular weight of 191.11 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carbaldehyde is sourced from PubChem (CID 105444637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).