chloro(methoxy)methane;deuterio(fluoro)methane;5-hydroxy-2-methoxypyridine-4-carbaldehyde;2-methoxy-5-(methoxymethoxy)pyridine;2-methoxy-5-(methoxymethoxy)pyridine-4-carbaldehyde;6-methoxypyridin-3-ol

C33H44ClFN4O13 — CID 160968819

IUPACchloro(methoxy)methane;deuterio(fluoro)methane;5-hydroxy-2-methoxypyridine-4-carbaldehyde;2-methoxy-5-(methoxymethoxy)pyridine;2-methoxy-5-(methoxymethoxy)pyridine-4-carbaldehyde;6-methoxypyridin-3-ol
SMILESCOCCl.COCOc1ccc(OC)nc1.COCOc1cnc(OC)cc1C=O.COc1cc(C=O)c(O)cn1.COc1ccc(O)cn1.[2H]CF
InChIInChI=1S/C9H11NO4.C8H11NO3.C7H7NO3.C6H7NO2.C2H5ClO.CH3F/c1-12-6-14-8-4-10-9(13-2)3-7(8)5-11;1-10-6-12-7-3-4-8(11-2)9-5-7;1-11-7-2-5(4-9)6(10)3-8-7;1-9-6-3-2-5(8)4-7-6;1-4-2-3;1-2/h3-5H,6H2,1-2H3;3-5H,6H2,1-2H3;2-4,10H,1H3;2-4,8H,1H3;2H2,1H3;1H3/i;;;;;1D
InChIKeySXZJBBPDJAQHNF-WTMQMJMGSA-N
MW760.19 g/mol
LogP4.78
Rot. Bonds13

About chloro(methoxy)methane;deuterio(fluoro)methane;5-hydroxy-2-methoxypyridine-4-carbaldehyde;2-methoxy-5-(methoxymethoxy)pyridine;2-methoxy-5-(methoxymethoxy)pyridine-4-carbaldehyde;6-methoxypyridin-3-ol

chloro(methoxy)methane;deuterio(fluoro)methane;5-hydroxy-2-methoxypyridine-4-carbaldehyde;2-methoxy-5-(methoxymethoxy)pyridine;2-methoxy-5-(methoxymethoxy)pyridine-4-carbaldehyde;6-methoxypyridin-3-ol (PubChem CID 160968819) has the molecular formula C33H44ClFN4O13 and a molecular weight of 760.19 g/mol. Its IUPAC name is chloro(methoxy)methane;deuterio(fluoro)methane;5-hydroxy-2-methoxypyridine-4-carbaldehyde;2-methoxy-5-(methoxymethoxy)pyridine;2-methoxy-5-(methoxymethoxy)pyridine-4-carbaldehyde;6-methoxypyridin-3-ol.

Molecular Properties

Compound Namechloro(methoxy)methane;deuterio(fluoro)methane;5-hydroxy-2-methoxypyridine-4-carbaldehyde;2-methoxy-5-(methoxymethoxy)pyridine;2-methoxy-5-(methoxymethoxy)pyridine-4-carbaldehyde;6-methoxypyridin-3-ol
PubChem CID160968819
Molecular FormulaC33H44ClFN4O13
Molecular Weight760.19 g/mol
Exact Mass759.26
IUPAC Namechloro(methoxy)methane;deuterio(fluoro)methane;5-hydroxy-2-methoxypyridine-4-carbaldehyde;2-methoxy-5-(methoxymethoxy)pyridine;2-methoxy-5-(methoxymethoxy)pyridine-4-carbaldehyde;6-methoxypyridin-3-ol
SMILESCOCCl.COCOc1ccc(OC)nc1.COCOc1cnc(OC)cc1C=O.COc1cc(C=O)c(O)cn1.COc1ccc(O)cn1.[2H]CF
InChIInChI=1S/C9H11NO4.C8H11NO3.C7H7NO3.C6H7NO2.C2H5ClO.CH3F/c1-12-6-14-8-4-10-9(13-2)3-7(8)5-11;1-10-6-12-7-3-4-8(11-2)9-5-7;1-11-7-2-5(4-9)6(10)3-8-7;1-9-6-3-2-5(8)4-7-6;1-4-2-3;1-2/h3-5H,6H2,1-2H3;3-5H,6H2,1-2H3;2-4,10H,1H3;2-4,8H,1H3;2H2,1H3;1H3/i;;;;;1D
InChIKeySXZJBBPDJAQHNF-WTMQMJMGSA-N
XLogP4.78
TPSA209.23 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.19
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro(methoxy)methane;deuterio(fluoro)methane;5-hydroxy-2-methoxypyridine-4-carbaldehyde;2-methoxy-5-(methoxymethoxy)pyridine;2-methoxy-5-(methoxymethoxy)pyridine-4-carbaldehyde;6-methoxypyridin-3-ol?
The IUPAC name of chloro(methoxy)methane;deuterio(fluoro)methane;5-hydroxy-2-methoxypyridine-4-carbaldehyde;2-methoxy-5-(methoxymethoxy)pyridine;2-methoxy-5-(methoxymethoxy)pyridine-4-carbaldehyde;6-methoxypyridin-3-ol (CID 160968819) is chloro(methoxy)methane;deuterio(fluoro)methane;5-hydroxy-2-methoxypyridine-4-carbaldehyde;2-methoxy-5-(methoxymethoxy)pyridine;2-methoxy-5-(methoxymethoxy)pyridine-4-carbaldehyde;6-methoxypyridin-3-ol.
What is the SMILES notation for chloro(methoxy)methane;deuterio(fluoro)methane;5-hydroxy-2-methoxypyridine-4-carbaldehyde;2-methoxy-5-(methoxymethoxy)pyridine;2-methoxy-5-(methoxymethoxy)pyridine-4-carbaldehyde;6-methoxypyridin-3-ol?
The canonical SMILES for chloro(methoxy)methane;deuterio(fluoro)methane;5-hydroxy-2-methoxypyridine-4-carbaldehyde;2-methoxy-5-(methoxymethoxy)pyridine;2-methoxy-5-(methoxymethoxy)pyridine-4-carbaldehyde;6-methoxypyridin-3-ol is COCCl.COCOc1ccc(OC)nc1.COCOc1cnc(OC)cc1C=O.COc1cc(C=O)c(O)cn1.COc1ccc(O)cn1.[2H]CF.
What is the InChIKey of chloro(methoxy)methane;deuterio(fluoro)methane;5-hydroxy-2-methoxypyridine-4-carbaldehyde;2-methoxy-5-(methoxymethoxy)pyridine;2-methoxy-5-(methoxymethoxy)pyridine-4-carbaldehyde;6-methoxypyridin-3-ol?
The InChIKey is SXZJBBPDJAQHNF-WTMQMJMGSA-N. The full InChI is InChI=1S/C9H11NO4.C8H11NO3.C7H7NO3.C6H7NO2.C2H5ClO.CH3F/c1-12-6-14-8-4-10-9(13-2)3-7(8)5-11;1-10-6-12-7-3-4-8(11-2)9-5-7;1-11-7-2-5(4-9)6(10)3-8-7;1-9-6-3-2-5(8)4-7-6;1-4-2-3;1-2/h3-5H,6H2,1-2H3;3-5H,6H2,1-2H3;2-4,10H,1H3;2-4,8H,1H3;2H2,1H3;1H3/i;;;;;1D.
What are the key properties of chloro(methoxy)methane;deuterio(fluoro)methane;5-hydroxy-2-methoxypyridine-4-carbaldehyde;2-methoxy-5-(methoxymethoxy)pyridine;2-methoxy-5-(methoxymethoxy)pyridine-4-carbaldehyde;6-methoxypyridin-3-ol?
chloro(methoxy)methane;deuterio(fluoro)methane;5-hydroxy-2-methoxypyridine-4-carbaldehyde;2-methoxy-5-(methoxymethoxy)pyridine;2-methoxy-5-(methoxymethoxy)pyridine-4-carbaldehyde;6-methoxypyridin-3-ol has a molecular weight of 760.19 g/mol, XLogP of 4.78, 13 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(methoxy)methane;deuterio(fluoro)methane;5-hydroxy-2-methoxypyridine-4-carbaldehyde;2-methoxy-5-(methoxymethoxy)pyridine;2-methoxy-5-(methoxymethoxy)pyridine-4-carbaldehyde;6-methoxypyridin-3-ol is sourced from PubChem (CID 160968819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).