2-methoxyethanol;6-(2-methoxyethoxy)pyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;methyl 6-(2-methoxyethoxy)pyridine-3-carboxylate;methyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;methyl 6-oxo-1H-pyridine-3-carboxylate

C48H63N5O21 — CID 157279643

IUPAC2-methoxyethanol;6-(2-methoxyethoxy)pyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;methyl 6-(2-methoxyethoxy)pyridine-3-carboxylate;methyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;methyl 6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)[nH]c1.COCCO.COCCOc1ccc(C(=O)O)cn1.COCCOc1ccc(C(=O)OC)cn1.COCCn1cc(C(=O)O)ccc1=O.COCCn1cc(C(=O)OC)ccc1=O
InChIInChI=1S/2C10H13NO4.2C9H11NO4.C7H7NO3.C3H8O2/c1-13-5-6-15-9-4-3-8(7-11-9)10(12)14-2;1-14-6-5-11-7-8(10(13)15-2)3-4-9(11)12;1-13-4-5-14-8-3-2-7(6-10-8)9(11)12;1-14-5-4-10-6-7(9(12)13)2-3-8(10)11;1-11-7(10)5-2-3-6(9)8-4-5;1-5-3-2-4/h2*3-4,7H,5-6H2,1-2H3;2-3,6H,4-5H2,1H3,(H,11,12);2-3,6H,4-5H2,1H3,(H,12,13);2-4H,1H3,(H,8,9);4H,2-3H2,1H3
InChIKeyAZMYYAIGYWBDSL-UHFFFAOYSA-N
MW1046.05 g/mol
LogP1.96
Rot. Bonds21

About 2-methoxyethanol;6-(2-methoxyethoxy)pyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;methyl 6-(2-methoxyethoxy)pyridine-3-carboxylate;methyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;methyl 6-oxo-1H-pyridine-3-carboxylate

2-methoxyethanol;6-(2-methoxyethoxy)pyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;methyl 6-(2-methoxyethoxy)pyridine-3-carboxylate;methyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;methyl 6-oxo-1H-pyridine-3-carboxylate (PubChem CID 157279643) has the molecular formula C48H63N5O21 and a molecular weight of 1046.05 g/mol. Its IUPAC name is 2-methoxyethanol;6-(2-methoxyethoxy)pyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;methyl 6-(2-methoxyethoxy)pyridine-3-carboxylate;methyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;methyl 6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethanol;6-(2-methoxyethoxy)pyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;methyl 6-(2-methoxyethoxy)pyridine-3-carboxylate;methyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;methyl 6-oxo-1H-pyridine-3-carboxylate
PubChem CID157279643
Molecular FormulaC48H63N5O21
Molecular Weight1046.05 g/mol
Exact Mass1045.40
IUPAC Name2-methoxyethanol;6-(2-methoxyethoxy)pyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;methyl 6-(2-methoxyethoxy)pyridine-3-carboxylate;methyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;methyl 6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)[nH]c1.COCCO.COCCOc1ccc(C(=O)O)cn1.COCCOc1ccc(C(=O)OC)cn1.COCCn1cc(C(=O)O)ccc1=O.COCCn1cc(C(=O)OC)ccc1=O
InChIInChI=1S/2C10H13NO4.2C9H11NO4.C7H7NO3.C3H8O2/c1-13-5-6-15-9-4-3-8(7-11-9)10(12)14-2;1-14-6-5-11-7-8(10(13)15-2)3-4-9(11)12;1-13-4-5-14-8-3-2-7(6-10-8)9(11)12;1-14-5-4-10-6-7(9(12)13)2-3-8(10)11;1-11-7(10)5-2-3-6(9)8-4-5;1-5-3-2-4/h2*3-4,7H,5-6H2,1-2H3;2-3,6H,4-5H2,1H3,(H,11,12);2-3,6H,4-5H2,1H3,(H,12,13);2-4H,1H3,(H,8,9);4H,2-3H2,1H3
InChIKeyAZMYYAIGYWBDSL-UHFFFAOYSA-N
XLogP1.96
TPSA340.98 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001046.05
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxyethanol;6-(2-methoxyethoxy)pyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;methyl 6-(2-methoxyethoxy)pyridine-3-carboxylate;methyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;methyl 6-oxo-1H-pyridine-3-carboxylate with MolForge

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Related Compounds

1-[2-(2-hydroxyethoxy)ethyl]-6-oxopyridine-3-carboxylic acid
CID 61071803
1-[4-(2-methoxyethoxy)butyl]-6-oxopyridine-3-carboxylic acid
CID 113464125
methyl 6-(methoxymethoxy)pyridine-3-carboxylate
CID 50896445
N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 61067363
methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride
CID 166000008
1-(3-methoxy-3-methylbutyl)-6-oxopyridine-3-carboxylic acid
CID 103034230
2-methoxyethanol;3-[6-(2-methoxyethoxy)-3-pyridinyl]-1-methyl-5-nitroindazole;5-(1-methyl-5-nitroindazol-3-yl)-1H-pyridin-2-one
CID 161004671
6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-3-carboxylic acid
CID 61101138
1-(2-methoxyethyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-oxopyridine-3-carboxamide
CID 55883209
6-(3-methylbutoxy)pyridine-3-carboxylic acid
CID 22219927
N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 62612412
1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid
CID 63892934

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethanol;6-(2-methoxyethoxy)pyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;methyl 6-(2-methoxyethoxy)pyridine-3-carboxylate;methyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;methyl 6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of 2-methoxyethanol;6-(2-methoxyethoxy)pyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;methyl 6-(2-methoxyethoxy)pyridine-3-carboxylate;methyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;methyl 6-oxo-1H-pyridine-3-carboxylate (CID 157279643) is 2-methoxyethanol;6-(2-methoxyethoxy)pyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;methyl 6-(2-methoxyethoxy)pyridine-3-carboxylate;methyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;methyl 6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for 2-methoxyethanol;6-(2-methoxyethoxy)pyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;methyl 6-(2-methoxyethoxy)pyridine-3-carboxylate;methyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;methyl 6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for 2-methoxyethanol;6-(2-methoxyethoxy)pyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;methyl 6-(2-methoxyethoxy)pyridine-3-carboxylate;methyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;methyl 6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1ccc(=O)[nH]c1.COCCO.COCCOc1ccc(C(=O)O)cn1.COCCOc1ccc(C(=O)OC)cn1.COCCn1cc(C(=O)O)ccc1=O.COCCn1cc(C(=O)OC)ccc1=O.
What is the InChIKey of 2-methoxyethanol;6-(2-methoxyethoxy)pyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;methyl 6-(2-methoxyethoxy)pyridine-3-carboxylate;methyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;methyl 6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is AZMYYAIGYWBDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13NO4.2C9H11NO4.C7H7NO3.C3H8O2/c1-13-5-6-15-9-4-3-8(7-11-9)10(12)14-2;1-14-6-5-11-7-8(10(13)15-2)3-4-9(11)12;1-13-4-5-14-8-3-2-7(6-10-8)9(11)12;1-14-5-4-10-6-7(9(12)13)2-3-8(10)11;1-11-7(10)5-2-3-6(9)8-4-5;1-5-3-2-4/h2*3-4,7H,5-6H2,1-2H3;2-3,6H,4-5H2,1H3,(H,11,12);2-3,6H,4-5H2,1H3,(H,12,13);2-4H,1H3,(H,8,9);4H,2-3H2,1H3.
What are the key properties of 2-methoxyethanol;6-(2-methoxyethoxy)pyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;methyl 6-(2-methoxyethoxy)pyridine-3-carboxylate;methyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;methyl 6-oxo-1H-pyridine-3-carboxylate?
2-methoxyethanol;6-(2-methoxyethoxy)pyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;methyl 6-(2-methoxyethoxy)pyridine-3-carboxylate;methyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;methyl 6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 1046.05 g/mol, XLogP of 1.96, 21 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethanol;6-(2-methoxyethoxy)pyridine-3-carboxylic acid;1-(2-methoxyethyl)-6-oxopyridine-3-carboxylic acid;methyl 6-(2-methoxyethoxy)pyridine-3-carboxylate;methyl 1-(2-methoxyethyl)-6-oxopyridine-3-carboxylate;methyl 6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 157279643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).