N-[[4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide

C13H10F3N3O — CID 144826742

IUPACN-[[4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide
SMILESO=CNCc1cc(-c2ccc(C(F)(F)F)nc2)ccn1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)12-2-1-10(6-19-12)9-3-4-18-11(5-9)7-17-8-20/h1-6,8H,7H2,(H,17,20)
InChIKeyFPHFYEIRLOFVTC-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.41
Rot. Bonds4

About N-[[4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide

N-[[4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide (PubChem CID 144826742) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is N-[[4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide
PubChem CID144826742
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC NameN-[[4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide
SMILESO=CNCc1cc(-c2ccc(C(F)(F)F)nc2)ccn1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)12-2-1-10(6-19-12)9-3-4-18-11(5-9)7-17-8-20/h1-6,8H,7H2,(H,17,20)
InChIKeyFPHFYEIRLOFVTC-UHFFFAOYSA-N
XLogP2.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.41
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

N-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide
CID 144826593
[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methanamine
CID 118222664
5-pyridin-4-yl-2-(trifluoromethyl)pyridine
CID 46316298
N-[[(3Z)-2-fluoro-7-[6-(trifluoromethyl)-3-pyridinyl]cycloocta-1,3,7-trien-1-yl]methyl]formamide
CID 174010715
ethane;1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine;N-[[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide
CID 144826750
N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]formamide
CID 144611139
6-[6-(trifluoromethyl)-3-pyridinyl]quinoline
CID 175877978
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid
CID 140555411
5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637957
[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
CID 118008047
2-[6-(trifluoromethyl)-3-pyridinyl]pyridine-4-carboxylic acid;hydrochloride
CID 140555410
N-[[5-methoxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]formamide
CID 139563976

Frequently Asked Questions

What is the IUPAC name of N-[[4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide?
The IUPAC name of N-[[4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide (CID 144826742) is N-[[4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide.
What is the SMILES notation for N-[[4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide?
The canonical SMILES for N-[[4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide is O=CNCc1cc(-c2ccc(C(F)(F)F)nc2)ccn1.
What is the InChIKey of N-[[4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide?
The InChIKey is FPHFYEIRLOFVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-13(15,16)12-2-1-10(6-19-12)9-3-4-18-11(5-9)7-17-8-20/h1-6,8H,7H2,(H,17,20).
What are the key properties of N-[[4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide?
N-[[4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide has a molecular weight of 281.24 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]methyl]formamide is sourced from PubChem (CID 144826742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).