6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile

C14H11F3N4O — CID 56815275

IUPAC6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCc2ccc(OCC(F)(F)F)nc2)nc1
InChIInChI=1S/C14H11F3N4O/c15-14(16,17)9-22-13-4-2-11(8-21-13)7-20-12-3-1-10(5-18)6-19-12/h1-4,6,8H,7,9H2,(H,19,20)
InChIKeyQOMURSXQBJKZCO-UHFFFAOYSA-N
MW308.26 g/mol
LogP2.90
Rot. Bonds5

About 6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile

6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile (PubChem CID 56815275) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
PubChem CID56815275
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCc2ccc(OCC(F)(F)F)nc2)nc1
InChIInChI=1S/C14H11F3N4O/c15-14(16,17)9-22-13-4-2-11(8-21-13)7-20-12-3-1-10(5-18)6-19-12/h1-4,6,8H,7,9H2,(H,19,20)
InChIKeyQOMURSXQBJKZCO-UHFFFAOYSA-N
XLogP2.90
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 133474689
4-[[(5-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 24705789
5-nitro-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]benzonitrile
CID 60502925
N-ethyl-N-phenyl-6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-sulfonamide
CID 60502755
6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile
CID 82788068
4-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]quinolin-2-amine
CID 60502890
5-(iodomethyl)-2-(2,2,2-trifluoroethoxy)pyridine
CID 162562842
N-[(4-chlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677152
6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile
CID 114384453
6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile
CID 55084059
6-[(4-pyrazol-1-ylphenyl)methylamino]pyridine-3-carbonitrile
CID 47053874
6-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methylamino]pyridine-3-carbonitrile
CID 167975799

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile (CID 56815275) is 6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCc2ccc(OCC(F)(F)F)nc2)nc1.
What is the InChIKey of 6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is QOMURSXQBJKZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c15-14(16,17)9-22-13-4-2-11(8-21-13)7-20-12-3-1-10(5-18)6-19-12/h1-4,6,8H,7,9H2,(H,19,20).
What are the key properties of 6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile?
6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 308.26 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 56815275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).