N-[[7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine

C18H16ClF5N2O — CID 134363730

IUPACN-[[7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CC1CCc2c(-c3ccc(F)cc3F)cc(Cl)nc2O1)CC(F)(F)F
InChIInChI=1S/C18H16ClF5N2O/c1-26(9-18(22,23)24)8-11-3-5-13-14(7-16(19)25-17(13)27-11)12-4-2-10(20)6-15(12)21/h2,4,6-7,11H,3,5,8-9H2,1H3
InChIKeyZBJBYFLJWYEYBB-UHFFFAOYSA-N
MW406.78 g/mol
LogP4.87
Rot. Bonds4

About N-[[7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine

N-[[7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 134363730) has the molecular formula C18H16ClF5N2O and a molecular weight of 406.78 g/mol. Its IUPAC name is N-[[7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[[7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID134363730
Molecular FormulaC18H16ClF5N2O
Molecular Weight406.78 g/mol
Exact Mass406.09
IUPAC NameN-[[7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(CC1CCc2c(-c3ccc(F)cc3F)cc(Cl)nc2O1)CC(F)(F)F
InChIInChI=1S/C18H16ClF5N2O/c1-26(9-18(22,23)24)8-11-3-5-13-14(7-16(19)25-17(13)27-11)12-4-2-10(20)6-15(12)21/h2,4,6-7,11H,3,5,8-9H2,1H3
InChIKeyZBJBYFLJWYEYBB-UHFFFAOYSA-N
XLogP4.87
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.78
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[[7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine 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 N-[[7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[[7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine (CID 134363730) is N-[[7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[[7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[[7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine is CN(CC1CCc2c(-c3ccc(F)cc3F)cc(Cl)nc2O1)CC(F)(F)F.
What is the InChIKey of N-[[7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is ZBJBYFLJWYEYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF5N2O/c1-26(9-18(22,23)24)8-11-3-5-13-14(7-16(19)25-17(13)27-11)12-4-2-10(20)6-15(12)21/h2,4,6-7,11H,3,5,8-9H2,1H3.
What are the key properties of N-[[7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[[7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 406.78 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-chloro-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 134363730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).