4-chloropyridine;methane;4-methoxypyridine;pyridine;4-pyridin-4-ylmorpholine;4-(trifluoromethyl)pyridine

C32H36ClF3N6O2 — CID 159973266

IUPAC4-chloropyridine;methane;4-methoxypyridine;pyridine;4-pyridin-4-ylmorpholine;4-(trifluoromethyl)pyridine
SMILESC.COc1ccncc1.Clc1ccncc1.FC(F)(F)c1ccncc1.c1cc(N2CCOCC2)ccn1.c1ccncc1
InChIInChI=1S/C9H12N2O.C6H4F3N.C6H7NO.C5H4ClN.C5H5N.CH4/c1-3-10-4-2-9(1)11-5-7-12-8-6-11;7-6(8,9)5-1-3-10-4-2-5;1-8-6-2-4-7-5-3-6;6-5-1-3-7-4-2-5;1-2-4-6-5-3-1;/h1-4H,5-8H2;1-4H;2-5H,1H3;1-4H;1-5H;1H4
InChIKeyOEVDJYHJBURLSU-UHFFFAOYSA-N
MW629.13 g/mol
LogP7.56
Rot. Bonds2

About 4-chloropyridine;methane;4-methoxypyridine;pyridine;4-pyridin-4-ylmorpholine;4-(trifluoromethyl)pyridine

4-chloropyridine;methane;4-methoxypyridine;pyridine;4-pyridin-4-ylmorpholine;4-(trifluoromethyl)pyridine (PubChem CID 159973266) has the molecular formula C32H36ClF3N6O2 and a molecular weight of 629.13 g/mol. Its IUPAC name is 4-chloropyridine;methane;4-methoxypyridine;pyridine;4-pyridin-4-ylmorpholine;4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-chloropyridine;methane;4-methoxypyridine;pyridine;4-pyridin-4-ylmorpholine;4-(trifluoromethyl)pyridine
PubChem CID159973266
Molecular FormulaC32H36ClF3N6O2
Molecular Weight629.13 g/mol
Exact Mass628.25
IUPAC Name4-chloropyridine;methane;4-methoxypyridine;pyridine;4-pyridin-4-ylmorpholine;4-(trifluoromethyl)pyridine
SMILESC.COc1ccncc1.Clc1ccncc1.FC(F)(F)c1ccncc1.c1cc(N2CCOCC2)ccn1.c1ccncc1
InChIInChI=1S/C9H12N2O.C6H4F3N.C6H7NO.C5H4ClN.C5H5N.CH4/c1-3-10-4-2-9(1)11-5-7-12-8-6-11;7-6(8,9)5-1-3-10-4-2-5;1-8-6-2-4-7-5-3-6;6-5-1-3-7-4-2-5;1-2-4-6-5-3-1;/h1-4H,5-8H2;1-4H;2-5H,1H3;1-4H;1-5H;1H4
InChIKeyOEVDJYHJBURLSU-UHFFFAOYSA-N
XLogP7.56
TPSA86.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.13
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloropyridine;methane;4-methoxypyridine;pyridine;4-pyridin-4-ylmorpholine;4-(trifluoromethyl)pyridine?
The IUPAC name of 4-chloropyridine;methane;4-methoxypyridine;pyridine;4-pyridin-4-ylmorpholine;4-(trifluoromethyl)pyridine (CID 159973266) is 4-chloropyridine;methane;4-methoxypyridine;pyridine;4-pyridin-4-ylmorpholine;4-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-chloropyridine;methane;4-methoxypyridine;pyridine;4-pyridin-4-ylmorpholine;4-(trifluoromethyl)pyridine?
The canonical SMILES for 4-chloropyridine;methane;4-methoxypyridine;pyridine;4-pyridin-4-ylmorpholine;4-(trifluoromethyl)pyridine is C.COc1ccncc1.Clc1ccncc1.FC(F)(F)c1ccncc1.c1cc(N2CCOCC2)ccn1.c1ccncc1.
What is the InChIKey of 4-chloropyridine;methane;4-methoxypyridine;pyridine;4-pyridin-4-ylmorpholine;4-(trifluoromethyl)pyridine?
The InChIKey is OEVDJYHJBURLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C6H4F3N.C6H7NO.C5H4ClN.C5H5N.CH4/c1-3-10-4-2-9(1)11-5-7-12-8-6-11;7-6(8,9)5-1-3-10-4-2-5;1-8-6-2-4-7-5-3-6;6-5-1-3-7-4-2-5;1-2-4-6-5-3-1;/h1-4H,5-8H2;1-4H;2-5H,1H3;1-4H;1-5H;1H4.
What are the key properties of 4-chloropyridine;methane;4-methoxypyridine;pyridine;4-pyridin-4-ylmorpholine;4-(trifluoromethyl)pyridine?
4-chloropyridine;methane;4-methoxypyridine;pyridine;4-pyridin-4-ylmorpholine;4-(trifluoromethyl)pyridine has a molecular weight of 629.13 g/mol, XLogP of 7.56, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyridine;methane;4-methoxypyridine;pyridine;4-pyridin-4-ylmorpholine;4-(trifluoromethyl)pyridine is sourced from PubChem (CID 159973266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).