3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile

C14H9ClF3N3 — CID 107057599

IUPAC3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCc2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C14H9ClF3N3/c15-12-10(7-19)5-6-20-13(12)21-8-9-1-3-11(4-2-9)14(16,17)18/h1-6H,8H2,(H,20,21)
InChIKeyHYALXECHOCVUPL-UHFFFAOYSA-N
MW311.69 g/mol
LogP4.24
Rot. Bonds3

About 3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile

3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile (PubChem CID 107057599) has the molecular formula C14H9ClF3N3 and a molecular weight of 311.69 g/mol. Its IUPAC name is 3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
PubChem CID107057599
Molecular FormulaC14H9ClF3N3
Molecular Weight311.69 g/mol
Exact Mass311.04
IUPAC Name3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCc2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C14H9ClF3N3/c15-12-10(7-19)5-6-20-13(12)21-8-9-1-3-11(4-2-9)14(16,17)18/h1-6H,8H2,(H,20,21)
InChIKeyHYALXECHOCVUPL-UHFFFAOYSA-N
XLogP4.24
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile (CID 107057599) is 3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile is N#Cc1ccnc(NCc2ccc(C(F)(F)F)cc2)c1Cl.
What is the InChIKey of 3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile?
The InChIKey is HYALXECHOCVUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3/c15-12-10(7-19)5-6-20-13(12)21-8-9-1-3-11(4-2-9)14(16,17)18/h1-6H,8H2,(H,20,21).
What are the key properties of 3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile?
3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile has a molecular weight of 311.69 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 107057599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).