ethyl 6-(hydroxymethyl)pyridine-3-carboxylate;ethyl 6-(methoxymethoxymethyl)pyridine-3-carboxylate;5-(fluoromethyl)-2-(methoxymethoxymethyl)pyridine;5-(fluoromethyl)pyridine-2-carbaldehyde;[5-(fluoromethyl)-2-pyridinyl]methanol;methane;[6-(methoxymethoxymethyl)-3-pyridinyl]methanol

C57H85F3N6O14 — CID 159409159

IUPACethyl 6-(hydroxymethyl)pyridine-3-carboxylate;ethyl 6-(methoxymethoxymethyl)pyridine-3-carboxylate;5-(fluoromethyl)-2-(methoxymethoxymethyl)pyridine;5-(fluoromethyl)pyridine-2-carbaldehyde;[5-(fluoromethyl)-2-pyridinyl]methanol;methane;[6-(methoxymethoxymethyl)-3-pyridinyl]methanol
SMILESC.C.C.C.C.CCOC(=O)c1ccc(CO)nc1.CCOC(=O)c1ccc(COCOC)nc1.COCOCc1ccc(CF)cn1.COCOCc1ccc(CO)cn1.O=Cc1ccc(CF)cn1.OCc1ccc(CF)cn1
InChIInChI=1S/C11H15NO4.C9H12FNO2.C9H13NO3.C9H11NO3.C7H8FNO.C7H6FNO.5CH4/c1-3-16-11(13)9-4-5-10(12-6-9)7-15-8-14-2;1-12-7-13-6-9-3-2-8(4-10)5-11-9;1-12-7-13-6-9-3-2-8(5-11)4-10-9;1-2-13-9(12)7-3-4-8(6-11)10-5-7;2*8-3-6-1-2-7(5-10)9-4-6;;;;;/h4-6H,3,7-8H2,1-2H3;2-3,5H,4,6-7H2,1H3;2-4,11H,5-7H2,1H3;3-5,11H,2,6H2,1H3;1-2,4,10H,3,5H2;1-2,4-5H,3H2;5*1H4
InChIKeyLOIUZNFBKSGWGA-UHFFFAOYSA-N
MW1135.33 g/mol
LogP10.08
Rot. Bonds23

About ethyl 6-(hydroxymethyl)pyridine-3-carboxylate;ethyl 6-(methoxymethoxymethyl)pyridine-3-carboxylate;5-(fluoromethyl)-2-(methoxymethoxymethyl)pyridine;5-(fluoromethyl)pyridine-2-carbaldehyde;[5-(fluoromethyl)-2-pyridinyl]methanol;methane;[6-(methoxymethoxymethyl)-3-pyridinyl]methanol

ethyl 6-(hydroxymethyl)pyridine-3-carboxylate;ethyl 6-(methoxymethoxymethyl)pyridine-3-carboxylate;5-(fluoromethyl)-2-(methoxymethoxymethyl)pyridine;5-(fluoromethyl)pyridine-2-carbaldehyde;[5-(fluoromethyl)-2-pyridinyl]methanol;methane;[6-(methoxymethoxymethyl)-3-pyridinyl]methanol (PubChem CID 159409159) has the molecular formula C57H85F3N6O14 and a molecular weight of 1135.33 g/mol. Its IUPAC name is ethyl 6-(hydroxymethyl)pyridine-3-carboxylate;ethyl 6-(methoxymethoxymethyl)pyridine-3-carboxylate;5-(fluoromethyl)-2-(methoxymethoxymethyl)pyridine;5-(fluoromethyl)pyridine-2-carbaldehyde;[5-(fluoromethyl)-2-pyridinyl]methanol;methane;[6-(methoxymethoxymethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Nameethyl 6-(hydroxymethyl)pyridine-3-carboxylate;ethyl 6-(methoxymethoxymethyl)pyridine-3-carboxylate;5-(fluoromethyl)-2-(methoxymethoxymethyl)pyridine;5-(fluoromethyl)pyridine-2-carbaldehyde;[5-(fluoromethyl)-2-pyridinyl]methanol;methane;[6-(methoxymethoxymethyl)-3-pyridinyl]methanol
PubChem CID159409159
Molecular FormulaC57H85F3N6O14
Molecular Weight1135.33 g/mol
Exact Mass1134.61
IUPAC Nameethyl 6-(hydroxymethyl)pyridine-3-carboxylate;ethyl 6-(methoxymethoxymethyl)pyridine-3-carboxylate;5-(fluoromethyl)-2-(methoxymethoxymethyl)pyridine;5-(fluoromethyl)pyridine-2-carbaldehyde;[5-(fluoromethyl)-2-pyridinyl]methanol;methane;[6-(methoxymethoxymethyl)-3-pyridinyl]methanol
SMILESC.C.C.C.C.CCOC(=O)c1ccc(CO)nc1.CCOC(=O)c1ccc(COCOC)nc1.COCOCc1ccc(CF)cn1.COCOCc1ccc(CO)cn1.O=Cc1ccc(CF)cn1.OCc1ccc(CF)cn1
InChIInChI=1S/C11H15NO4.C9H12FNO2.C9H13NO3.C9H11NO3.C7H8FNO.C7H6FNO.5CH4/c1-3-16-11(13)9-4-5-10(12-6-9)7-15-8-14-2;1-12-7-13-6-9-3-2-8(4-10)5-11-9;1-12-7-13-6-9-3-2-8(5-11)4-10-9;1-2-13-9(12)7-3-4-8(6-11)10-5-7;2*8-3-6-1-2-7(5-10)9-4-6;;;;;/h4-6H,3,7-8H2,1-2H3;2-3,5H,4,6-7H2,1H3;2-4,11H,5-7H2,1H3;3-5,11H,2,6H2,1H3;1-2,4,10H,3,5H2;1-2,4-5H,3H2;5*1H4
InChIKeyLOIUZNFBKSGWGA-UHFFFAOYSA-N
XLogP10.08
TPSA263.08 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001135.33
LogP ≤ 510.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze ethyl 6-(hydroxymethyl)pyridine-3-carboxylate;ethyl 6-(methoxymethoxymethyl)pyridine-3-carboxylate;5-(fluoromethyl)-2-(methoxymethoxymethyl)pyridine;5-(fluoromethyl)pyridine-2-carbaldehyde;[5-(fluoromethyl)-2-pyridinyl]methanol;methane;[6-(methoxymethoxymethyl)-3-pyridinyl]methanol with MolForge

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Related Compounds

tert-butyl pyridine-4-carboxylate;N,N-dimethylpyridine-4-carboxamide;tris(ethyl pyridine-4-carboxylate);1,1,1,3,3,3-hexafluoropropan-2-yl pyridine-4-carboxylate;methyl pyridine-2-carboxylate;methyl pyridine-3-carboxylate;methyl pyridine-4-carboxylate;propan-2-yl pyridine-4-carboxylate
CID 161654984
Methyl 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylate;[6-(2,2,2-trifluoroethoxymethyl)pyridin-3-yl]methanol
CID 159504895
methyl 6-[(E)-2-[3,5,6-tris[(E)-2-(5-methoxycarbonyl-2-pyridinyl)ethenyl]pyrazin-2-yl]ethenyl]pyridine-3-carboxylate
CID 21746078
methyl 5-[(E)-2-[3,5,6-tris[(E)-2-(6-methoxycarbonyl-3-pyridinyl)ethenyl]pyrazin-2-yl]ethenyl]pyridine-2-carboxylate
CID 21746157
Methyl 6-(((3-(bis(pyridin-2-ylmethyl)amino)-2-hydroxypropyl)(pyridin-2-ylmethyl)amino)methyl)nicotinate
CID 23024618
Methyl 6-[2-[3,5,6-tris[2-(5-methoxycarbonyl-2-pyridinyl)ethenyl]pyrazin-2-yl]ethenyl]pyridine-3-carboxylate
CID 53691201
Methyl 5-[2-[3,5,6-tris[2-(6-methoxycarbonyl-3-pyridinyl)ethenyl]pyrazin-2-yl]ethenyl]pyridine-2-carboxylate
CID 53807988
Ethyl 4-[2-[2-[2-[bis(5-ethoxycarbonyl-3-pyridinyl)amino]ethyl-(5-ethoxycarbonyl-3-pyridinyl)amino]ethyl-(5-ethoxycarbonyl-3-pyridinyl)amino]ethyl-(5-ethoxycarbonyl-3-pyridinyl)amino]pyridine-2-carboxylate
CID 134541137
Ethane;methyl 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate;[6-(morpholin-4-ylmethyl)-3-pyridinyl]methanol
CID 145256632
Dimethyl pyridine-2,5-dicarboxylate;ethyl 6-formylpyridine-3-carboxylate;ethyl 6-(hydroxymethyl)pyridine-3-carboxylate
CID 157114937
Methyl 2-(acetyloxymethyl)pyridine-3-carboxylate;methyl 2-(hydroxymethyl)pyridine-3-carboxylate;methyl 2-methyl-1-oxidopyridin-1-ium-3-carboxylate;methyl 2-methylpyridine-3-carboxylate
CID 157241289
methyl 2-dimethylphosphorylacetate;methyl (E)-3-(1-hydroxy-6-methylpyridin-1-ium-3-yl)prop-2-enoate;methyl (E)-3-[6-(hydroxymethyl)-3-pyridinyl]prop-2-enoate;methyl 6-methylpyridine-3-carboxylate;methyl (E)-3-(6-methyl-3-pyridinyl)prop-2-enoate;6-methylpyridine-3-carbaldehyde;(6-methyl-3-pyridinyl)methanol
CID 157340964

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(hydroxymethyl)pyridine-3-carboxylate;ethyl 6-(methoxymethoxymethyl)pyridine-3-carboxylate;5-(fluoromethyl)-2-(methoxymethoxymethyl)pyridine;5-(fluoromethyl)pyridine-2-carbaldehyde;[5-(fluoromethyl)-2-pyridinyl]methanol;methane;[6-(methoxymethoxymethyl)-3-pyridinyl]methanol?
The IUPAC name of ethyl 6-(hydroxymethyl)pyridine-3-carboxylate;ethyl 6-(methoxymethoxymethyl)pyridine-3-carboxylate;5-(fluoromethyl)-2-(methoxymethoxymethyl)pyridine;5-(fluoromethyl)pyridine-2-carbaldehyde;[5-(fluoromethyl)-2-pyridinyl]methanol;methane;[6-(methoxymethoxymethyl)-3-pyridinyl]methanol (CID 159409159) is ethyl 6-(hydroxymethyl)pyridine-3-carboxylate;ethyl 6-(methoxymethoxymethyl)pyridine-3-carboxylate;5-(fluoromethyl)-2-(methoxymethoxymethyl)pyridine;5-(fluoromethyl)pyridine-2-carbaldehyde;[5-(fluoromethyl)-2-pyridinyl]methanol;methane;[6-(methoxymethoxymethyl)-3-pyridinyl]methanol.
What is the SMILES notation for ethyl 6-(hydroxymethyl)pyridine-3-carboxylate;ethyl 6-(methoxymethoxymethyl)pyridine-3-carboxylate;5-(fluoromethyl)-2-(methoxymethoxymethyl)pyridine;5-(fluoromethyl)pyridine-2-carbaldehyde;[5-(fluoromethyl)-2-pyridinyl]methanol;methane;[6-(methoxymethoxymethyl)-3-pyridinyl]methanol?
The canonical SMILES for ethyl 6-(hydroxymethyl)pyridine-3-carboxylate;ethyl 6-(methoxymethoxymethyl)pyridine-3-carboxylate;5-(fluoromethyl)-2-(methoxymethoxymethyl)pyridine;5-(fluoromethyl)pyridine-2-carbaldehyde;[5-(fluoromethyl)-2-pyridinyl]methanol;methane;[6-(methoxymethoxymethyl)-3-pyridinyl]methanol is C.C.C.C.C.CCOC(=O)c1ccc(CO)nc1.CCOC(=O)c1ccc(COCOC)nc1.COCOCc1ccc(CF)cn1.COCOCc1ccc(CO)cn1.O=Cc1ccc(CF)cn1.OCc1ccc(CF)cn1.
What is the InChIKey of ethyl 6-(hydroxymethyl)pyridine-3-carboxylate;ethyl 6-(methoxymethoxymethyl)pyridine-3-carboxylate;5-(fluoromethyl)-2-(methoxymethoxymethyl)pyridine;5-(fluoromethyl)pyridine-2-carbaldehyde;[5-(fluoromethyl)-2-pyridinyl]methanol;methane;[6-(methoxymethoxymethyl)-3-pyridinyl]methanol?
The InChIKey is LOIUZNFBKSGWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4.C9H12FNO2.C9H13NO3.C9H11NO3.C7H8FNO.C7H6FNO.5CH4/c1-3-16-11(13)9-4-5-10(12-6-9)7-15-8-14-2;1-12-7-13-6-9-3-2-8(4-10)5-11-9;1-12-7-13-6-9-3-2-8(5-11)4-10-9;1-2-13-9(12)7-3-4-8(6-11)10-5-7;2*8-3-6-1-2-7(5-10)9-4-6;;;;;/h4-6H,3,7-8H2,1-2H3;2-3,5H,4,6-7H2,1H3;2-4,11H,5-7H2,1H3;3-5,11H,2,6H2,1H3;1-2,4,10H,3,5H2;1-2,4-5H,3H2;5*1H4.
What are the key properties of ethyl 6-(hydroxymethyl)pyridine-3-carboxylate;ethyl 6-(methoxymethoxymethyl)pyridine-3-carboxylate;5-(fluoromethyl)-2-(methoxymethoxymethyl)pyridine;5-(fluoromethyl)pyridine-2-carbaldehyde;[5-(fluoromethyl)-2-pyridinyl]methanol;methane;[6-(methoxymethoxymethyl)-3-pyridinyl]methanol?
ethyl 6-(hydroxymethyl)pyridine-3-carboxylate;ethyl 6-(methoxymethoxymethyl)pyridine-3-carboxylate;5-(fluoromethyl)-2-(methoxymethoxymethyl)pyridine;5-(fluoromethyl)pyridine-2-carbaldehyde;[5-(fluoromethyl)-2-pyridinyl]methanol;methane;[6-(methoxymethoxymethyl)-3-pyridinyl]methanol has a molecular weight of 1135.33 g/mol, XLogP of 10.08, 23 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(hydroxymethyl)pyridine-3-carboxylate;ethyl 6-(methoxymethoxymethyl)pyridine-3-carboxylate;5-(fluoromethyl)-2-(methoxymethoxymethyl)pyridine;5-(fluoromethyl)pyridine-2-carbaldehyde;[5-(fluoromethyl)-2-pyridinyl]methanol;methane;[6-(methoxymethoxymethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 159409159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).