N-[5-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide

C7H4ClF3N2O2 — CID 174589532

IUPACN-[5-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide
SMILESO=CNc1cc(Cl)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H4ClF3N2O2/c8-3-1-4(12-2-14)6(15)13-5(3)7(9,10)11/h1-2H,(H,12,14)(H,13,15)
InChIKeyRMZCRSABCQMRPF-UHFFFAOYSA-N
MW240.57 g/mol
LogP1.62
Rot. Bonds2

About N-[5-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide

N-[5-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide (PubChem CID 174589532) has the molecular formula C7H4ClF3N2O2 and a molecular weight of 240.57 g/mol. Its IUPAC name is N-[5-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide.

Molecular Properties

Compound NameN-[5-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide
PubChem CID174589532
Molecular FormulaC7H4ClF3N2O2
Molecular Weight240.57 g/mol
Exact Mass239.99
IUPAC NameN-[5-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide
SMILESO=CNc1cc(Cl)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H4ClF3N2O2/c8-3-1-4(12-2-14)6(15)13-5(3)7(9,10)11/h1-2H,(H,12,14)(H,13,15)
InChIKeyRMZCRSABCQMRPF-UHFFFAOYSA-N
XLogP1.62
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.57
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide?
The IUPAC name of N-[5-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide (CID 174589532) is N-[5-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide.
What is the SMILES notation for N-[5-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide?
The canonical SMILES for N-[5-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide is O=CNc1cc(Cl)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[5-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide?
The InChIKey is RMZCRSABCQMRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3N2O2/c8-3-1-4(12-2-14)6(15)13-5(3)7(9,10)11/h1-2H,(H,12,14)(H,13,15).
What are the key properties of N-[5-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide?
N-[5-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide has a molecular weight of 240.57 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]formamide is sourced from PubChem (CID 174589532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).