5-chloro-2-fluoro-4-[1-[(4-fluorooxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine

C16H17ClF2N2O — CID 141285754

IUPAC5-chloro-2-fluoro-4-[1-[(4-fluorooxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine
SMILESFc1cc(C2=CC=CCN2CC2(F)CCOCC2)c(Cl)cn1
InChIInChI=1S/C16H17ClF2N2O/c17-13-10-20-15(18)9-12(13)14-3-1-2-6-21(14)11-16(19)4-7-22-8-5-16/h1-3,9-10H,4-8,11H2
InChIKeyXSGNWXXICXINFF-UHFFFAOYSA-N
MW326.77 g/mol
LogP3.61
Rot. Bonds3

About 5-chloro-2-fluoro-4-[1-[(4-fluorooxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine

5-chloro-2-fluoro-4-[1-[(4-fluorooxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine (PubChem CID 141285754) has the molecular formula C16H17ClF2N2O and a molecular weight of 326.77 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[1-[(4-fluorooxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-[1-[(4-fluorooxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine
PubChem CID141285754
Molecular FormulaC16H17ClF2N2O
Molecular Weight326.77 g/mol
Exact Mass326.10
IUPAC Name5-chloro-2-fluoro-4-[1-[(4-fluorooxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine
SMILESFc1cc(C2=CC=CCN2CC2(F)CCOCC2)c(Cl)cn1
InChIInChI=1S/C16H17ClF2N2O/c17-13-10-20-15(18)9-12(13)14-3-1-2-6-21(14)11-16(19)4-7-22-8-5-16/h1-3,9-10H,4-8,11H2
InChIKeyXSGNWXXICXINFF-UHFFFAOYSA-N
XLogP3.61
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-(6-Chloropyridin-3-yl)ethyl)morpholine
CID 90370236
4-[(6-Chloropyridin-3-yl)methyl]morpholine
CID 3614045
2-Chloro-5-(2-ethoxy-1,1,2,2-tetrafluoroethyl)pyridine
CID 132353759
1-[(2-Chloro-4-pyridinyl)methyl]-4-(4-fluorophenyl)piperazine
CID 3395886
2-[(3-Chloro-4-pyridinyl)methyl-(2-morpholin-4-ylethyl)amino]ethanol
CID 71857408
7-[(3-Chloro-4-pyridinyl)methyl]-2-oxa-7-azaspiro[4.4]nonane
CID 132283596
2-Chloro-3-(4-fluorotetrahydro-2H-pyran-4-YL)pyridine
CID 59327013
6-(2-Amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 66955102
3-(5-chloro-2-fluoropyridin-4-yl)-5-fluoro-N-((tetrahydro-2H-pyran-4-yl)methyl)aniline
CID 67033472
[3-(5-Chloro-2-fluoro-pyridin-4-yl)-4-fluoro-phenyl]-(tetrahydro-pyran-4-ylmethyl)-carbamic acid tert-butyl ester
CID 67033583
6-(2-Amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine
CID 67043456
6-(2-Amino-3-fluoro-4-pyridinyl)-5-chloro-6-fluoro-1-(oxan-4-ylmethyl)pyridin-2-amine
CID 68276184

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-[1-[(4-fluorooxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine?
The IUPAC name of 5-chloro-2-fluoro-4-[1-[(4-fluorooxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine (CID 141285754) is 5-chloro-2-fluoro-4-[1-[(4-fluorooxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 5-chloro-2-fluoro-4-[1-[(4-fluorooxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 5-chloro-2-fluoro-4-[1-[(4-fluorooxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine is Fc1cc(C2=CC=CCN2CC2(F)CCOCC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-fluoro-4-[1-[(4-fluorooxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine?
The InChIKey is XSGNWXXICXINFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF2N2O/c17-13-10-20-15(18)9-12(13)14-3-1-2-6-21(14)11-16(19)4-7-22-8-5-16/h1-3,9-10H,4-8,11H2.
What are the key properties of 5-chloro-2-fluoro-4-[1-[(4-fluorooxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine?
5-chloro-2-fluoro-4-[1-[(4-fluorooxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine has a molecular weight of 326.77 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-[1-[(4-fluorooxan-4-yl)methyl]-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 141285754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).