6-aminopyridine-3-carboxylic acid;azane;N,N-diethylethanamine;methanol;methyl 6-amino-2-chloropyridine-3-carboxylate;methyl 6-aminopyridine-3-carboxylate;methyl 2-chloro-6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)-1-hydroxypyridin-1-ium-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;phosphoryl trichloride

C72H73Cl5N14O21P+ — CID 160770085

IUPAC6-aminopyridine-3-carboxylic acid;azane;N,N-diethylethanamine;methanol;methyl 6-amino-2-chloropyridine-3-carboxylate;methyl 6-aminopyridine-3-carboxylate;methyl 2-chloro-6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)-1-hydroxypyridin-1-ium-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;phosphoryl trichloride
SMILESCCN(CC)CC.CO.COC(=O)c1ccc(N)nc1.COC(=O)c1ccc(N)nc1Cl.COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)[n+](O)c1.COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)nc1.COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)nc1Cl.N.Nc1ccc(C(=O)O)cn1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C15H9ClN2O4.C15H11N2O5.C15H10N2O4.C7H7ClN2O2.C7H8N2O2.C6H6N2O2.C6H15N.CH4O.Cl3OP.H3N/c1-22-15(21)10-6-7-11(17-12(10)16)18-13(19)8-4-2-3-5-9(8)14(18)20;1-22-15(20)9-6-7-12(16(21)8-9)17-13(18)10-4-2-3-5-11(10)14(17)19;1-21-15(20)9-6-7-12(16-8-9)17-13(18)10-4-2-3-5-11(10)14(17)19;1-12-7(11)4-2-3-5(9)10-6(4)8;1-11-7(10)5-2-3-6(8)9-4-5;7-5-2-1-4(3-8-5)6(9)10;1-4-7(5-2)6-3;1-2;1-5(2,3)4;/h2-7H,1H3;2-8,21H,1H3;2-8H,1H3;2-3H,1H3,(H2,9,10);2-4H,1H3,(H2,8,9);1-3H,(H2,7,8)(H,9,10);4-6H2,1-3H3;2H,1H3;;1H3/q;+1;;;;;;;;
InChIKeySABVRDICORCBSQ-UHFFFAOYSA-N
MW1678.69 g/mol
LogP10.64
Rot. Bonds12

About 6-aminopyridine-3-carboxylic acid;azane;N,N-diethylethanamine;methanol;methyl 6-amino-2-chloropyridine-3-carboxylate;methyl 6-aminopyridine-3-carboxylate;methyl 2-chloro-6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)-1-hydroxypyridin-1-ium-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;phosphoryl trichloride

6-aminopyridine-3-carboxylic acid;azane;N,N-diethylethanamine;methanol;methyl 6-amino-2-chloropyridine-3-carboxylate;methyl 6-aminopyridine-3-carboxylate;methyl 2-chloro-6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)-1-hydroxypyridin-1-ium-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;phosphoryl trichloride (PubChem CID 160770085) has the molecular formula C72H73Cl5N14O21P+ and a molecular weight of 1678.69 g/mol. Its IUPAC name is 6-aminopyridine-3-carboxylic acid;azane;N,N-diethylethanamine;methanol;methyl 6-amino-2-chloropyridine-3-carboxylate;methyl 6-aminopyridine-3-carboxylate;methyl 2-chloro-6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)-1-hydroxypyridin-1-ium-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;phosphoryl trichloride.

Molecular Properties

Compound Name6-aminopyridine-3-carboxylic acid;azane;N,N-diethylethanamine;methanol;methyl 6-amino-2-chloropyridine-3-carboxylate;methyl 6-aminopyridine-3-carboxylate;methyl 2-chloro-6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)-1-hydroxypyridin-1-ium-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;phosphoryl trichloride
PubChem CID160770085
Molecular FormulaC72H73Cl5N14O21P+
Molecular Weight1678.69 g/mol
Exact Mass1675.32
IUPAC Name6-aminopyridine-3-carboxylic acid;azane;N,N-diethylethanamine;methanol;methyl 6-amino-2-chloropyridine-3-carboxylate;methyl 6-aminopyridine-3-carboxylate;methyl 2-chloro-6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)-1-hydroxypyridin-1-ium-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;phosphoryl trichloride
SMILESCCN(CC)CC.CO.COC(=O)c1ccc(N)nc1.COC(=O)c1ccc(N)nc1Cl.COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)[n+](O)c1.COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)nc1.COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)nc1Cl.N.Nc1ccc(C(=O)O)cn1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C15H9ClN2O4.C15H11N2O5.C15H10N2O4.C7H7ClN2O2.C7H8N2O2.C6H6N2O2.C6H15N.CH4O.Cl3OP.H3N/c1-22-15(21)10-6-7-11(17-12(10)16)18-13(19)8-4-2-3-5-9(8)14(18)20;1-22-15(20)9-6-7-12(16(21)8-9)17-13(18)10-4-2-3-5-11(10)14(17)19;1-21-15(20)9-6-7-12(16-8-9)17-13(18)10-4-2-3-5-11(10)14(17)19;1-12-7(11)4-2-3-5(9)10-6(4)8;1-11-7(10)5-2-3-6(8)9-4-5;7-5-2-1-4(3-8-5)6(9)10;1-4-7(5-2)6-3;1-2;1-5(2,3)4;/h2-7H,1H3;2-8,21H,1H3;2-8H,1H3;2-3H,1H3,(H2,9,10);2-4H,1H3,(H2,8,9);1-3H,(H2,7,8)(H,9,10);4-6H2,1-3H3;2H,1H3;;1H3/q;+1;;;;;;;;
InChIKeySABVRDICORCBSQ-UHFFFAOYSA-N
XLogP10.64
TPSA523.10 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds12
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001678.69
LogP ≤ 510.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-aminopyridine-3-carboxylic acid;azane;N,N-diethylethanamine;methanol;methyl 6-amino-2-chloropyridine-3-carboxylate;methyl 6-aminopyridine-3-carboxylate;methyl 2-chloro-6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)-1-hydroxypyridin-1-ium-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;phosphoryl trichloride with MolForge

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Related Compounds

2-Chloro-4,5-bis(chloromethyl)pyridine;[2-chloro-5-(hydroxymethyl)-4-pyridinyl]methanol;3-chloro-1'-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydrocyclopenta[c]pyridine-6,3'-pyrrolo[2,3-b]pyridine]-2'-one;dimethyl 6-chloropyridine-3,4-dicarboxylate;dimethyl 1-hydroxypyridin-1-ium-3,4-dicarboxylate;dimethyl pyridine-3,4-dicarboxylate;pyridine-3,4-dicarboxylic acid
CID 159912699
2-(5-chloro-2-pyridinyl)-3-hydroxy-3H-isoindol-1-one;[(1S)-2-(5-chloro-2-pyridinyl)-3-oxo-1H-isoindol-1-yl] 4-methylpiperazine-1-carboxylate;bis([2-(5-chloro-2-pyridinyl)-3-oxo-1H-isoindol-1-yl] 4-methylpiperazine-1-carboxylate);methane;4-methylpiperazine-1-carbonyl chloride
CID 159940075
6-Chloro-4,5-dimethylpyridin-2-amine;2-(6-chloro-4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;2-(4,5-dimethyl-1-oxidopyridin-1-ium-2-yl)isoindole-1,3-dione;2-(4,5-dimethyl-2-pyridinyl)isoindole-1,3-dione;phosphoryl trichloride
CID 161442041
6-aminopyridine-3-carboxylic acid;azane;N,N-diethylethanamine;methanol;methyl 6-amino-2-chloropyridine-3-carboxylate;methyl 6-aminopyridine-3-carboxylate;methyl 2-chloro-6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)-1-oxidopyridin-1-ium-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;phosphoryl trichloride
CID 161560169

Frequently Asked Questions

What is the IUPAC name of 6-aminopyridine-3-carboxylic acid;azane;N,N-diethylethanamine;methanol;methyl 6-amino-2-chloropyridine-3-carboxylate;methyl 6-aminopyridine-3-carboxylate;methyl 2-chloro-6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)-1-hydroxypyridin-1-ium-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;phosphoryl trichloride?
The IUPAC name of 6-aminopyridine-3-carboxylic acid;azane;N,N-diethylethanamine;methanol;methyl 6-amino-2-chloropyridine-3-carboxylate;methyl 6-aminopyridine-3-carboxylate;methyl 2-chloro-6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)-1-hydroxypyridin-1-ium-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;phosphoryl trichloride (CID 160770085) is 6-aminopyridine-3-carboxylic acid;azane;N,N-diethylethanamine;methanol;methyl 6-amino-2-chloropyridine-3-carboxylate;methyl 6-aminopyridine-3-carboxylate;methyl 2-chloro-6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)-1-hydroxypyridin-1-ium-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;phosphoryl trichloride.
What is the SMILES notation for 6-aminopyridine-3-carboxylic acid;azane;N,N-diethylethanamine;methanol;methyl 6-amino-2-chloropyridine-3-carboxylate;methyl 6-aminopyridine-3-carboxylate;methyl 2-chloro-6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)-1-hydroxypyridin-1-ium-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;phosphoryl trichloride?
The canonical SMILES for 6-aminopyridine-3-carboxylic acid;azane;N,N-diethylethanamine;methanol;methyl 6-amino-2-chloropyridine-3-carboxylate;methyl 6-aminopyridine-3-carboxylate;methyl 2-chloro-6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)-1-hydroxypyridin-1-ium-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;phosphoryl trichloride is CCN(CC)CC.CO.COC(=O)c1ccc(N)nc1.COC(=O)c1ccc(N)nc1Cl.COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)[n+](O)c1.COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)nc1.COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)nc1Cl.N.Nc1ccc(C(=O)O)cn1.O=P(Cl)(Cl)Cl.
What is the InChIKey of 6-aminopyridine-3-carboxylic acid;azane;N,N-diethylethanamine;methanol;methyl 6-amino-2-chloropyridine-3-carboxylate;methyl 6-aminopyridine-3-carboxylate;methyl 2-chloro-6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)-1-hydroxypyridin-1-ium-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;phosphoryl trichloride?
The InChIKey is SABVRDICORCBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O4.C15H11N2O5.C15H10N2O4.C7H7ClN2O2.C7H8N2O2.C6H6N2O2.C6H15N.CH4O.Cl3OP.H3N/c1-22-15(21)10-6-7-11(17-12(10)16)18-13(19)8-4-2-3-5-9(8)14(18)20;1-22-15(20)9-6-7-12(16(21)8-9)17-13(18)10-4-2-3-5-11(10)14(17)19;1-21-15(20)9-6-7-12(16-8-9)17-13(18)10-4-2-3-5-11(10)14(17)19;1-12-7(11)4-2-3-5(9)10-6(4)8;1-11-7(10)5-2-3-6(8)9-4-5;7-5-2-1-4(3-8-5)6(9)10;1-4-7(5-2)6-3;1-2;1-5(2,3)4;/h2-7H,1H3;2-8,21H,1H3;2-8H,1H3;2-3H,1H3,(H2,9,10);2-4H,1H3,(H2,8,9);1-3H,(H2,7,8)(H,9,10);4-6H2,1-3H3;2H,1H3;;1H3/q;+1;;;;;;;;.
What are the key properties of 6-aminopyridine-3-carboxylic acid;azane;N,N-diethylethanamine;methanol;methyl 6-amino-2-chloropyridine-3-carboxylate;methyl 6-aminopyridine-3-carboxylate;methyl 2-chloro-6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)-1-hydroxypyridin-1-ium-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;phosphoryl trichloride?
6-aminopyridine-3-carboxylic acid;azane;N,N-diethylethanamine;methanol;methyl 6-amino-2-chloropyridine-3-carboxylate;methyl 6-aminopyridine-3-carboxylate;methyl 2-chloro-6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)-1-hydroxypyridin-1-ium-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;phosphoryl trichloride has a molecular weight of 1678.69 g/mol, XLogP of 10.64, 12 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminopyridine-3-carboxylic acid;azane;N,N-diethylethanamine;methanol;methyl 6-amino-2-chloropyridine-3-carboxylate;methyl 6-aminopyridine-3-carboxylate;methyl 2-chloro-6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)-1-hydroxypyridin-1-ium-3-carboxylate;methyl 6-(1,3-dioxoisoindol-2-yl)pyridine-3-carboxylate;phosphoryl trichloride is sourced from PubChem (CID 160770085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).