5-chloro-2-fluoro-4-[1-(oxan-4-ylmethyl)-3-(trifluoromethyl)-2H-pyridin-6-yl]pyridine

C17H17ClF4N2O — CID 141285788

IUPAC5-chloro-2-fluoro-4-[1-(oxan-4-ylmethyl)-3-(trifluoromethyl)-2H-pyridin-6-yl]pyridine
SMILESFc1cc(C2=CC=C(C(F)(F)F)CN2CC2CCOCC2)c(Cl)cn1
InChIInChI=1S/C17H17ClF4N2O/c18-14-8-23-16(19)7-13(14)15-2-1-12(17(20,21)22)10-24(15)9-11-3-5-25-6-4-11/h1-2,7-8,11H,3-6,9-10H2
InChIKeyBLCOYFLODZVPAB-UHFFFAOYSA-N
MW376.78 g/mol
LogP4.45
Rot. Bonds3

About 5-chloro-2-fluoro-4-[1-(oxan-4-ylmethyl)-3-(trifluoromethyl)-2H-pyridin-6-yl]pyridine

5-chloro-2-fluoro-4-[1-(oxan-4-ylmethyl)-3-(trifluoromethyl)-2H-pyridin-6-yl]pyridine (PubChem CID 141285788) has the molecular formula C17H17ClF4N2O and a molecular weight of 376.78 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[1-(oxan-4-ylmethyl)-3-(trifluoromethyl)-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-[1-(oxan-4-ylmethyl)-3-(trifluoromethyl)-2H-pyridin-6-yl]pyridine
PubChem CID141285788
Molecular FormulaC17H17ClF4N2O
Molecular Weight376.78 g/mol
Exact Mass376.10
IUPAC Name5-chloro-2-fluoro-4-[1-(oxan-4-ylmethyl)-3-(trifluoromethyl)-2H-pyridin-6-yl]pyridine
SMILESFc1cc(C2=CC=C(C(F)(F)F)CN2CC2CCOCC2)c(Cl)cn1
InChIInChI=1S/C17H17ClF4N2O/c18-14-8-23-16(19)7-13(14)15-2-1-12(17(20,21)22)10-24(15)9-11-3-5-25-6-4-11/h1-2,7-8,11H,3-6,9-10H2
InChIKeyBLCOYFLODZVPAB-UHFFFAOYSA-N
XLogP4.45
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.78
LogP ≤ 54.45
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

2-Chloro-5-(2-ethoxy-1,1,2,2-tetrafluoroethyl)pyridine
CID 132353759
3-(5-chloro-2-fluoropyridin-4-yl)-5-fluoro-N-((tetrahydro-2H-pyran-4-yl)methyl)aniline
CID 67033472
5'-chloro-2'-fluoro-N-((tetrahydro-2H-pyran-4-yl)methyl)-3,4'-bipyridin-5-amine
CID 67043256
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
6-(2-Amino-3-chloro-4-pyridinyl)-5-chloro-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine
CID 68296820
6-(3-chloro-4-pyridinyl)-3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]-1H-pyridin-2-amine
CID 68296864
5'-chloro-2',6-difluoro-N-((tetrahydro-2H-pyran-4-yl)methyl)-3,4'-bipyridin-5-amine
CID 69673730
3-(5-chloro-2-fluoro-4-pyridinyl)-4-fluoro-N-(oxan-4-ylmethyl)aniline
CID 69674805
CID 88919762
CID 88919762
CID 89784527
CID 89784527
3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine
CID 123194440

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-[1-(oxan-4-ylmethyl)-3-(trifluoromethyl)-2H-pyridin-6-yl]pyridine?
The IUPAC name of 5-chloro-2-fluoro-4-[1-(oxan-4-ylmethyl)-3-(trifluoromethyl)-2H-pyridin-6-yl]pyridine (CID 141285788) is 5-chloro-2-fluoro-4-[1-(oxan-4-ylmethyl)-3-(trifluoromethyl)-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 5-chloro-2-fluoro-4-[1-(oxan-4-ylmethyl)-3-(trifluoromethyl)-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 5-chloro-2-fluoro-4-[1-(oxan-4-ylmethyl)-3-(trifluoromethyl)-2H-pyridin-6-yl]pyridine is Fc1cc(C2=CC=C(C(F)(F)F)CN2CC2CCOCC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-fluoro-4-[1-(oxan-4-ylmethyl)-3-(trifluoromethyl)-2H-pyridin-6-yl]pyridine?
The InChIKey is BLCOYFLODZVPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF4N2O/c18-14-8-23-16(19)7-13(14)15-2-1-12(17(20,21)22)10-24(15)9-11-3-5-25-6-4-11/h1-2,7-8,11H,3-6,9-10H2.
What are the key properties of 5-chloro-2-fluoro-4-[1-(oxan-4-ylmethyl)-3-(trifluoromethyl)-2H-pyridin-6-yl]pyridine?
5-chloro-2-fluoro-4-[1-(oxan-4-ylmethyl)-3-(trifluoromethyl)-2H-pyridin-6-yl]pyridine has a molecular weight of 376.78 g/mol, XLogP of 4.45, 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-(oxan-4-ylmethyl)-3-(trifluoromethyl)-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 141285788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).