4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-hydroxybutanenitrile

C10H9ClF3N3O — CID 2773921

IUPAC4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-hydroxybutanenitrile
SMILESN#CCC(O)CNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9ClF3N3O/c11-8-3-6(10(12,13)14)4-16-9(8)17-5-7(18)1-2-15/h3-4,7,18H,1,5H2,(H,16,17)
InChIKeyLTZIGNBKBAUAHK-UHFFFAOYSA-N
MW279.65 g/mol
LogP2.44
Rot. Bonds4

About 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-hydroxybutanenitrile

4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-hydroxybutanenitrile (PubChem CID 2773921) has the molecular formula C10H9ClF3N3O and a molecular weight of 279.65 g/mol. Its IUPAC name is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-hydroxybutanenitrile.

Molecular Properties

Compound Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-hydroxybutanenitrile
PubChem CID2773921
Molecular FormulaC10H9ClF3N3O
Molecular Weight279.65 g/mol
Exact Mass279.04
IUPAC Name4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-hydroxybutanenitrile
SMILESN#CCC(O)CNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H9ClF3N3O/c11-8-3-6(10(12,13)14)4-16-9(8)17-5-7(18)1-2-15/h3-4,7,18H,1,5H2,(H,16,17)
InChIKeyLTZIGNBKBAUAHK-UHFFFAOYSA-N
XLogP2.44
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-hydroxybutanenitrile 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 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-hydroxybutanenitrile?
The IUPAC name of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-hydroxybutanenitrile (CID 2773921) is 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-hydroxybutanenitrile.
What is the SMILES notation for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-hydroxybutanenitrile?
The canonical SMILES for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-hydroxybutanenitrile is N#CCC(O)CNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-hydroxybutanenitrile?
The InChIKey is LTZIGNBKBAUAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3N3O/c11-8-3-6(10(12,13)14)4-16-9(8)17-5-7(18)1-2-15/h3-4,7,18H,1,5H2,(H,16,17).
What are the key properties of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-hydroxybutanenitrile?
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-hydroxybutanenitrile has a molecular weight of 279.65 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-hydroxybutanenitrile is sourced from PubChem (CID 2773921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).