sodium;dichloro(methoxy)methane;1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylic acid;methyl 1-ethyl-4-formylpyrrole-2-carboxylate;methyl 1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylate;methyl 1-ethylpyrrole-2-carboxylate;2-methyl-1,8-naphthyridine;1-methyl-4-(sulfinatoamino)benzene;hydroxide;hydrochloride

C70H76Cl3N11NaO13S- — CID 157253605

About sodium;dichloro(methoxy)methane;1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylic acid;methyl 1-ethyl-4-formylpyrrole-2-carboxylate;methyl 1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylate;methyl 1-ethylpyrrole-2-carboxylate;2-methyl-1,8-naphthyridine;1-methyl-4-(sulfinatoamino)benzene;hydroxide;hydrochloride

sodium;dichloro(methoxy)methane;1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylic acid;methyl 1-ethyl-4-formylpyrrole-2-carboxylate;methyl 1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylate;methyl 1-ethylpyrrole-2-carboxylate;2-methyl-1,8-naphthyridine;1-methyl-4-(sulfinatoamino)benzene;hydroxide;hydrochloride (PubChem CID 157253605) has the molecular formula C70H76Cl3N11NaO13S- and a molecular weight of 1440.86 g/mol. Its IUPAC name is sodium;dichloro(methoxy)methane;1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylic acid;methyl 1-ethyl-4-formylpyrrole-2-carboxylate;methyl 1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylate;methyl 1-ethylpyrrole-2-carboxylate;2-methyl-1,8-naphthyridine;1-methyl-4-(sulfinatoamino)benzene;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: sodium;dichloro(methoxy)methane;1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylic acid;methyl 1-ethyl-4-formylpyrrole-2-carboxylate;methyl 1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylate;methyl 1-ethylpyrrole-2-carboxylate;2-methyl-1,8-naphthyridine;1-methyl-4-(sulfinatoamino)benzene;hydroxide;hydrochloride
• PubChem CID: 157253605
• Molecular Formula: C70H76Cl3N11NaO13S-
• Molecular Weight: 1440.86 g/mol
• Exact Mass: 1438.43
• IUPAC Name: sodium;dichloro(methoxy)methane;1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylic acid;methyl 1-ethyl-4-formylpyrrole-2-carboxylate;methyl 1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylate;methyl 1-ethylpyrrole-2-carboxylate;2-methyl-1,8-naphthyridine;1-methyl-4-(sulfinatoamino)benzene;hydroxide;hydrochloride
• SMILES: CCn1cc(/C=C/c2ccc3cccnc3n2)cc1C(=O)O.CCn1cc(/C=C/c2ccc3cccnc3n2)cc1C(=O)OC.CCn1cc(C=O)cc1C(=O)OC.CCn1cccc1C(=O)OC.COC(Cl)Cl.Cc1ccc(NS(=O)[O-])cc1.Cc1ccc2cccnc2n1.Cl.[Na+].[OH-]
• InChI: InChI=1S/C18H17N3O2.C17H15N3O2.C9H8N2.C9H11NO3.C8H11NO2.C7H9NO2S.C2H4Cl2O.ClH.Na.H2O/c1-3-21-12-13(11-16(21)18(22)23-2)6-8-15-9-7-14-5-4-10-19-17(14)20-15;1-2-20-11-12(10-15(20)17(21)22)5-7-14-8-6-13-4-3-9-18-16(13)19-14;1-7-4-5-8-3-2-6-10-9(8)11-7;1-3-10-5-7(6-11)4-8(10)9(12)13-2;1-3-9-6-4-5-7(9)8(10)11-2;1-6-2-4-7(5-3-6)8-11(9)10;1-5-2(3)4;;;/h4-12H,3H2,1-2H3;3-11H,2H2,1H3,(H,21,22);2-6H,1H3;4-6H,3H2,1-2H3;4-6H,3H2,1-2H3;2-5,8H,1H3,(H,9,10);2H,1H3;1H;;1H2/q;;;;;;;;+1;/p-2/b8-6+;7-5+
• InChIKey: ZYKAKRWKKWVKQE-SFTJLFRSSA-L
• XLogP: 10.91
• TPSA: 321.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1440.86
LogP ≤ 5	10.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;dichloro(methoxy)methane;1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylic acid;methyl 1-ethyl-4-formylpyrrole-2-carboxylate;methyl 1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylate;methyl 1-ethylpyrrole-2-carboxylate;2-methyl-1,8-naphthyridine;1-methyl-4-(sulfinatoamino)benzene;hydroxide;hydrochloride?

The IUPAC name of sodium;dichloro(methoxy)methane;1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylic acid;methyl 1-ethyl-4-formylpyrrole-2-carboxylate;methyl 1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylate;methyl 1-ethylpyrrole-2-carboxylate;2-methyl-1,8-naphthyridine;1-methyl-4-(sulfinatoamino)benzene;hydroxide;hydrochloride (CID 157253605) is sodium;dichloro(methoxy)methane;1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylic acid;methyl 1-ethyl-4-formylpyrrole-2-carboxylate;methyl 1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylate;methyl 1-ethylpyrrole-2-carboxylate;2-methyl-1,8-naphthyridine;1-methyl-4-(sulfinatoamino)benzene;hydroxide;hydrochloride.

What is the SMILES notation for sodium;dichloro(methoxy)methane;1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylic acid;methyl 1-ethyl-4-formylpyrrole-2-carboxylate;methyl 1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylate;methyl 1-ethylpyrrole-2-carboxylate;2-methyl-1,8-naphthyridine;1-methyl-4-(sulfinatoamino)benzene;hydroxide;hydrochloride?

The canonical SMILES for sodium;dichloro(methoxy)methane;1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylic acid;methyl 1-ethyl-4-formylpyrrole-2-carboxylate;methyl 1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylate;methyl 1-ethylpyrrole-2-carboxylate;2-methyl-1,8-naphthyridine;1-methyl-4-(sulfinatoamino)benzene;hydroxide;hydrochloride is CCn1cc(/C=C/c2ccc3cccnc3n2)cc1C(=O)O.CCn1cc(/C=C/c2ccc3cccnc3n2)cc1C(=O)OC.CCn1cc(C=O)cc1C(=O)OC.CCn1cccc1C(=O)OC.COC(Cl)Cl.Cc1ccc(NS(=O)[O-])cc1.Cc1ccc2cccnc2n1.Cl.[Na+].[OH-].

What is the InChIKey of sodium;dichloro(methoxy)methane;1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylic acid;methyl 1-ethyl-4-formylpyrrole-2-carboxylate;methyl 1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylate;methyl 1-ethylpyrrole-2-carboxylate;2-methyl-1,8-naphthyridine;1-methyl-4-(sulfinatoamino)benzene;hydroxide;hydrochloride?

The InChIKey is ZYKAKRWKKWVKQE-SFTJLFRSSA-L. The full InChI is InChI=1S/C18H17N3O2.C17H15N3O2.C9H8N2.C9H11NO3.C8H11NO2.C7H9NO2S.C2H4Cl2O.ClH.Na.H2O/c1-3-21-12-13(11-16(21)18(22)23-2)6-8-15-9-7-14-5-4-10-19-17(14)20-15;1-2-20-11-12(10-15(20)17(21)22)5-7-14-8-6-13-4-3-9-18-16(13)19-14;1-7-4-5-8-3-2-6-10-9(8)11-7;1-3-10-5-7(6-11)4-8(10)9(12)13-2;1-3-9-6-4-5-7(9)8(10)11-2;1-6-2-4-7(5-3-6)8-11(9)10;1-5-2(3)4;;;/h4-12H,3H2,1-2H3;3-11H,2H2,1H3,(H,21,22);2-6H,1H3;4-6H,3H2,1-2H3;4-6H,3H2,1-2H3;2-5,8H,1H3,(H,9,10);2H,1H3;1H;;1H2/q;;;;;;;;+1;/p-2/b8-6+;7-5+;;;;;;;;.

What are the key properties of sodium;dichloro(methoxy)methane;1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylic acid;methyl 1-ethyl-4-formylpyrrole-2-carboxylate;methyl 1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylate;methyl 1-ethylpyrrole-2-carboxylate;2-methyl-1,8-naphthyridine;1-methyl-4-(sulfinatoamino)benzene;hydroxide;hydrochloride?

sodium;dichloro(methoxy)methane;1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylic acid;methyl 1-ethyl-4-formylpyrrole-2-carboxylate;methyl 1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylate;methyl 1-ethylpyrrole-2-carboxylate;2-methyl-1,8-naphthyridine;1-methyl-4-(sulfinatoamino)benzene;hydroxide;hydrochloride has a molecular weight of 1440.86 g/mol, XLogP of 10.91, 16 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;dichloro(methoxy)methane;1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylic acid;methyl 1-ethyl-4-formylpyrrole-2-carboxylate;methyl 1-ethyl-4-[(E)-2-(1,8-naphthyridin-2-yl)ethenyl]pyrrole-2-carboxylate;methyl 1-ethylpyrrole-2-carboxylate;2-methyl-1,8-naphthyridine;1-methyl-4-(sulfinatoamino)benzene;hydroxide;hydrochloride is sourced from PubChem (CID 157253605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).