2-chloro-5-methylpyridine;4,6-dimethyl-2H-1,3-oxazine;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;5-methoxy-2-methylpyridine;3-methylpyridine;4-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine

C62H79ClN10O6 — CID 158028736

IUPAC2-chloro-5-methylpyridine;4,6-dimethyl-2H-1,3-oxazine;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;5-methoxy-2-methylpyridine;3-methylpyridine;4-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine
SMILESCC1=CC(C)=NCO1.COc1ccc(C)cn1.COc1ccc(C)nc1.COc1cccc(C)n1.COc1ncccc1C.Cc1ccc(Cl)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1cccnc1.Cc1ccncc1
InChIInChI=1S/C10H14N2O.4C7H9NO.C6H6ClN.C6H9NO.2C6H7N/c1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-6-3-4-7(9-2)5-8-6;1-6-3-4-7(9-2)8-5-6;1-6-4-3-5-8-7(6)9-2;1-6-4-3-5-7(8-6)9-2;1-5-2-3-6(7)8-4-5;1-5-3-6(2)8-4-7-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6/h2-3,8H,4-7H2,1H3;4*3-5H,1-2H3;2-4H,1H3;3H,4H2,1-2H3;2*2-5H,1H3
InChIKeyFGXQCRLUMOLLQT-UHFFFAOYSA-N
MW1095.83 g/mol
LogP12.98
Rot. Bonds5

About 2-chloro-5-methylpyridine;4,6-dimethyl-2H-1,3-oxazine;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;5-methoxy-2-methylpyridine;3-methylpyridine;4-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine

2-chloro-5-methylpyridine;4,6-dimethyl-2H-1,3-oxazine;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;5-methoxy-2-methylpyridine;3-methylpyridine;4-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine (PubChem CID 158028736) has the molecular formula C62H79ClN10O6 and a molecular weight of 1095.83 g/mol. Its IUPAC name is 2-chloro-5-methylpyridine;4,6-dimethyl-2H-1,3-oxazine;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;5-methoxy-2-methylpyridine;3-methylpyridine;4-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine.

Molecular Properties

Compound Name2-chloro-5-methylpyridine;4,6-dimethyl-2H-1,3-oxazine;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;5-methoxy-2-methylpyridine;3-methylpyridine;4-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine
PubChem CID158028736
Molecular FormulaC62H79ClN10O6
Molecular Weight1095.83 g/mol
Exact Mass1094.59
IUPAC Name2-chloro-5-methylpyridine;4,6-dimethyl-2H-1,3-oxazine;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;5-methoxy-2-methylpyridine;3-methylpyridine;4-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine
SMILESCC1=CC(C)=NCO1.COc1ccc(C)cn1.COc1ccc(C)nc1.COc1cccc(C)n1.COc1ncccc1C.Cc1ccc(Cl)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1cccnc1.Cc1ccncc1
InChIInChI=1S/C10H14N2O.4C7H9NO.C6H6ClN.C6H9NO.2C6H7N/c1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-6-3-4-7(9-2)5-8-6;1-6-3-4-7(9-2)8-5-6;1-6-4-3-5-8-7(6)9-2;1-6-4-3-5-7(8-6)9-2;1-5-2-3-6(7)8-4-5;1-5-3-6(2)8-4-7-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6/h2-3,8H,4-7H2,1H3;4*3-5H,1-2H3;2-4H,1H3;3H,4H2,1-2H3;2*2-5H,1H3
InChIKeyFGXQCRLUMOLLQT-UHFFFAOYSA-N
XLogP12.98
TPSA174.10 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds5
Heavy Atoms79
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001095.83
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-chloro-5-methylpyridine;4,6-dimethyl-2H-1,3-oxazine;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;5-methoxy-2-methylpyridine;3-methylpyridine;4-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylpyridine;4,6-dimethyl-2H-1,3-oxazine;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;5-methoxy-2-methylpyridine;3-methylpyridine;4-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine?
The IUPAC name of 2-chloro-5-methylpyridine;4,6-dimethyl-2H-1,3-oxazine;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;5-methoxy-2-methylpyridine;3-methylpyridine;4-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine (CID 158028736) is 2-chloro-5-methylpyridine;4,6-dimethyl-2H-1,3-oxazine;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;5-methoxy-2-methylpyridine;3-methylpyridine;4-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine.
What is the SMILES notation for 2-chloro-5-methylpyridine;4,6-dimethyl-2H-1,3-oxazine;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;5-methoxy-2-methylpyridine;3-methylpyridine;4-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine?
The canonical SMILES for 2-chloro-5-methylpyridine;4,6-dimethyl-2H-1,3-oxazine;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;5-methoxy-2-methylpyridine;3-methylpyridine;4-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine is CC1=CC(C)=NCO1.COc1ccc(C)cn1.COc1ccc(C)nc1.COc1cccc(C)n1.COc1ncccc1C.Cc1ccc(Cl)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1cccnc1.Cc1ccncc1.
What is the InChIKey of 2-chloro-5-methylpyridine;4,6-dimethyl-2H-1,3-oxazine;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;5-methoxy-2-methylpyridine;3-methylpyridine;4-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine?
The InChIKey is FGXQCRLUMOLLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.4C7H9NO.C6H6ClN.C6H9NO.2C6H7N/c1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-6-3-4-7(9-2)5-8-6;1-6-3-4-7(9-2)8-5-6;1-6-4-3-5-8-7(6)9-2;1-6-4-3-5-7(8-6)9-2;1-5-2-3-6(7)8-4-5;1-5-3-6(2)8-4-7-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6/h2-3,8H,4-7H2,1H3;4*3-5H,1-2H3;2-4H,1H3;3H,4H2,1-2H3;2*2-5H,1H3.
What are the key properties of 2-chloro-5-methylpyridine;4,6-dimethyl-2H-1,3-oxazine;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;5-methoxy-2-methylpyridine;3-methylpyridine;4-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine?
2-chloro-5-methylpyridine;4,6-dimethyl-2H-1,3-oxazine;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;5-methoxy-2-methylpyridine;3-methylpyridine;4-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine has a molecular weight of 1095.83 g/mol, XLogP of 12.98, 5 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylpyridine;4,6-dimethyl-2H-1,3-oxazine;2-methoxy-3-methylpyridine;2-methoxy-5-methylpyridine;2-methoxy-6-methylpyridine;5-methoxy-2-methylpyridine;3-methylpyridine;4-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine is sourced from PubChem (CID 158028736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).