N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]formamide

C8H7F3N2O — CID 174048843

IUPACN-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]formamide
SMILESCN(C=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C8H7F3N2O/c1-13(5-14)6-2-3-7(12-4-6)8(9,10)11/h2-5H,1H3
InChIKeyUKEOAUNVIXNULS-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.69
Rot. Bonds2

About N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]formamide

N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]formamide (PubChem CID 174048843) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]formamide
PubChem CID174048843
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC NameN-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]formamide
SMILESCN(C=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C8H7F3N2O/c1-13(5-14)6-2-3-7(12-4-6)8(9,10)11/h2-5H,1H3
InChIKeyUKEOAUNVIXNULS-UHFFFAOYSA-N
XLogP1.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]formamide?
The IUPAC name of N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]formamide (CID 174048843) is N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]formamide.
What is the SMILES notation for N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]formamide?
The canonical SMILES for N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]formamide is CN(C=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]formamide?
The InChIKey is UKEOAUNVIXNULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c1-13(5-14)6-2-3-7(12-4-6)8(9,10)11/h2-5H,1H3.
What are the key properties of N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]formamide?
N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]formamide has a molecular weight of 204.15 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]formamide is sourced from PubChem (CID 174048843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).