3-chloro-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine

C16H15ClF3N3O — CID 2535882

IUPAC3-chloro-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(Nc2ccc(N3CCOCC3)cc2)c(Cl)c1
InChIInChI=1S/C16H15ClF3N3O/c17-14-9-11(16(18,19)20)10-21-15(14)22-12-1-3-13(4-2-12)23-5-7-24-8-6-23/h1-4,9-10H,5-8H2,(H,21,22)
InChIKeyVGAPEDPZBUERRC-UHFFFAOYSA-N
MW357.76 g/mol
LogP4.33
Rot. Bonds3

About 3-chloro-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 2535882) has the molecular formula C16H15ClF3N3O and a molecular weight of 357.76 g/mol. Its IUPAC name is 3-chloro-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID2535882
Molecular FormulaC16H15ClF3N3O
Molecular Weight357.76 g/mol
Exact Mass357.09
IUPAC Name3-chloro-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(Nc2ccc(N3CCOCC3)cc2)c(Cl)c1
InChIInChI=1S/C16H15ClF3N3O/c17-14-9-11(16(18,19)20)10-21-15(14)22-12-1-3-13(4-2-12)23-5-7-24-8-6-23/h1-4,9-10H,5-8H2,(H,21,22)
InChIKeyVGAPEDPZBUERRC-UHFFFAOYSA-N
XLogP4.33
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine (CID 2535882) is 3-chloro-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(Nc2ccc(N3CCOCC3)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VGAPEDPZBUERRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O/c17-14-9-11(16(18,19)20)10-21-15(14)22-12-1-3-13(4-2-12)23-5-7-24-8-6-23/h1-4,9-10H,5-8H2,(H,21,22).
What are the key properties of 3-chloro-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 357.76 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 2535882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).