3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine

C112H165ClF4N18O13 — CID 167665803

IUPAC3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine
SMILESCC(C)N1CC(Oc2cncc(F)c2)C1.CC(C)N1CCC(Oc2ccc(F)cn2)C1.CC(C)N1CCC(Oc2cncc(F)c2)C1.CC1CN(C(C)C)CC1Oc1ccccn1.COc1cccc(OC2CCN(C(C)C)C2)n1.COc1cncc(OC2CCN(C(C)C)C2)c1.COc1nc(OC2CCN(C(C)C)C2)ccc1F.COc1ncc(OC2CN(C(C)C)C2)cc1Cl.Cc1cccc(OC2CCN(C(C)C)C2)n1
InChIInChI=1S/C13H19FN2O2.2C13H20N2O2.2C13H20N2O.C12H17ClN2O2.2C12H17FN2O.C11H15FN2O/c1-9(2)16-7-6-10(8-16)18-12-5-4-11(14)13(15-12)17-3;1-10(2)15-5-4-11(9-15)17-13-6-12(16-3)7-14-8-13;1-10(2)15-8-7-11(9-15)17-13-6-4-5-12(14-13)16-3;1-10(2)15-8-7-12(9-15)16-13-6-4-5-11(3)14-13;1-10(2)15-8-11(3)12(9-15)16-13-6-4-5-7-14-13;1-8(2)15-6-10(7-15)17-9-4-11(13)12(16-3)14-5-9;1-9(2)15-4-3-11(8-15)16-12-5-10(13)6-14-7-12;1-9(2)15-6-5-11(8-15)16-12-4-3-10(13)7-14-12;1-8(2)14-6-11(7-14)15-10-3-9(12)4-13-5-10/h4-5,9-10H,6-8H2,1-3H3;6-8,10-11H,4-5,9H2,1-3H3;4-6,10-11H,7-9H2,1-3H3;4-6,10,12H,7-9H2,1-3H3;4-7,10-12H,8-9H2,1-3H3;4-5,8,10H,6-7H2,1-3H3;5-7,9,11H,3-4,8H2,1-2H3;3-4,7,9,11H,5-6,8H2,1-2H3;3-5,8,11H,6-7H2,1-2H3
InChIKeySPVIHXCQKKQGKC-UHFFFAOYSA-N
MW2083.11 g/mol
LogP18.51
Rot. Bonds31

About 3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine

3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine (PubChem CID 167665803) has the molecular formula C112H165ClF4N18O13 and a molecular weight of 2083.11 g/mol. Its IUPAC name is 3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine.

Molecular Properties

Compound Name3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine
PubChem CID167665803
Molecular FormulaC112H165ClF4N18O13
Molecular Weight2083.11 g/mol
Exact Mass2081.24
IUPAC Name3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine
SMILESCC(C)N1CC(Oc2cncc(F)c2)C1.CC(C)N1CCC(Oc2ccc(F)cn2)C1.CC(C)N1CCC(Oc2cncc(F)c2)C1.CC1CN(C(C)C)CC1Oc1ccccn1.COc1cccc(OC2CCN(C(C)C)C2)n1.COc1cncc(OC2CCN(C(C)C)C2)c1.COc1nc(OC2CCN(C(C)C)C2)ccc1F.COc1ncc(OC2CN(C(C)C)C2)cc1Cl.Cc1cccc(OC2CCN(C(C)C)C2)n1
InChIInChI=1S/C13H19FN2O2.2C13H20N2O2.2C13H20N2O.C12H17ClN2O2.2C12H17FN2O.C11H15FN2O/c1-9(2)16-7-6-10(8-16)18-12-5-4-11(14)13(15-12)17-3;1-10(2)15-5-4-11(9-15)17-13-6-12(16-3)7-14-8-13;1-10(2)15-8-7-11(9-15)17-13-6-4-5-12(14-13)16-3;1-10(2)15-8-7-12(9-15)16-13-6-4-5-11(3)14-13;1-10(2)15-8-11(3)12(9-15)16-13-6-4-5-7-14-13;1-8(2)15-6-10(7-15)17-9-4-11(13)12(16-3)14-5-9;1-9(2)15-4-3-11(8-15)16-12-5-10(13)6-14-7-12;1-9(2)15-6-5-11(8-15)16-12-4-3-10(13)7-14-12;1-8(2)14-6-11(7-14)15-10-3-9(12)4-13-5-10/h4-5,9-10H,6-8H2,1-3H3;6-8,10-11H,4-5,9H2,1-3H3;4-6,10-11H,7-9H2,1-3H3;4-6,10,12H,7-9H2,1-3H3;4-7,10-12H,8-9H2,1-3H3;4-5,8,10H,6-7H2,1-3H3;5-7,9,11H,3-4,8H2,1-2H3;3-4,7,9,11H,5-6,8H2,1-2H3;3-5,8,11H,6-7H2,1-2H3
InChIKeySPVIHXCQKKQGKC-UHFFFAOYSA-N
XLogP18.51
TPSA265.16 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds31
Heavy Atoms148
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002083.11
LogP ≤ 518.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine?
The IUPAC name of 3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine (CID 167665803) is 3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine.
What is the SMILES notation for 3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine?
The canonical SMILES for 3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine is CC(C)N1CC(Oc2cncc(F)c2)C1.CC(C)N1CCC(Oc2ccc(F)cn2)C1.CC(C)N1CCC(Oc2cncc(F)c2)C1.CC1CN(C(C)C)CC1Oc1ccccn1.COc1cccc(OC2CCN(C(C)C)C2)n1.COc1cncc(OC2CCN(C(C)C)C2)c1.COc1nc(OC2CCN(C(C)C)C2)ccc1F.COc1ncc(OC2CN(C(C)C)C2)cc1Cl.Cc1cccc(OC2CCN(C(C)C)C2)n1.
What is the InChIKey of 3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine?
The InChIKey is SPVIHXCQKKQGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2.2C13H20N2O2.2C13H20N2O.C12H17ClN2O2.2C12H17FN2O.C11H15FN2O/c1-9(2)16-7-6-10(8-16)18-12-5-4-11(14)13(15-12)17-3;1-10(2)15-5-4-11(9-15)17-13-6-12(16-3)7-14-8-13;1-10(2)15-8-7-11(9-15)17-13-6-4-5-12(14-13)16-3;1-10(2)15-8-7-12(9-15)16-13-6-4-5-11(3)14-13;1-10(2)15-8-11(3)12(9-15)16-13-6-4-5-7-14-13;1-8(2)15-6-10(7-15)17-9-4-11(13)12(16-3)14-5-9;1-9(2)15-4-3-11(8-15)16-12-5-10(13)6-14-7-12;1-9(2)15-6-5-11(8-15)16-12-4-3-10(13)7-14-12;1-8(2)14-6-11(7-14)15-10-3-9(12)4-13-5-10/h4-5,9-10H,6-8H2,1-3H3;6-8,10-11H,4-5,9H2,1-3H3;4-6,10-11H,7-9H2,1-3H3;4-6,10,12H,7-9H2,1-3H3;4-7,10-12H,8-9H2,1-3H3;4-5,8,10H,6-7H2,1-3H3;5-7,9,11H,3-4,8H2,1-2H3;3-4,7,9,11H,5-6,8H2,1-2H3;3-5,8,11H,6-7H2,1-2H3.
What are the key properties of 3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine?
3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine has a molecular weight of 2083.11 g/mol, XLogP of 18.51, 31 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methoxy-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylazetidin-3-yl)oxypyridine;3-fluoro-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methoxy-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;3-methoxy-5-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)oxypyridine;2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)oxypyridine is sourced from PubChem (CID 167665803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).