4-chloropyridine;bis(4-chloropyridine-3-carboxylic acid);diethyl propanedioate;ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxylate;ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione;pyridine-3-carboxylic acid;1H-pyrido[4,3-d][1,3]oxazine-2,4-dione;trichloromethyl carbonochloridate

C106H96Cl9N15O30 — CID 159094198

About 4-chloropyridine;bis(4-chloropyridine-3-carboxylic acid);diethyl propanedioate;ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxylate;ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione;pyridine-3-carboxylic acid;1H-pyrido[4,3-d][1,3]oxazine-2,4-dione;trichloromethyl carbonochloridate

4-chloropyridine;bis(4-chloropyridine-3-carboxylic acid);diethyl propanedioate;ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxylate;ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione;pyridine-3-carboxylic acid;1H-pyrido[4,3-d][1,3]oxazine-2,4-dione;trichloromethyl carbonochloridate (PubChem CID 159094198) has the molecular formula C106H96Cl9N15O30 and a molecular weight of 2379.09 g/mol. Its IUPAC name is 4-chloropyridine;bis(4-chloropyridine-3-carboxylic acid);diethyl propanedioate;ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxylate;ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione;pyridine-3-carboxylic acid;1H-pyrido[4,3-d][1,3]oxazine-2,4-dione;trichloromethyl carbonochloridate.

Molecular Properties

• Compound Name: 4-chloropyridine;bis(4-chloropyridine-3-carboxylic acid);diethyl propanedioate;ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxylate;ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione;pyridine-3-carboxylic acid;1H-pyrido[4,3-d][1,3]oxazine-2,4-dione;trichloromethyl carbonochloridate
• PubChem CID: 159094198
• Molecular Formula: C106H96Cl9N15O30
• Molecular Weight: 2379.09 g/mol
• Exact Mass: 2373.36
• IUPAC Name: 4-chloropyridine;bis(4-chloropyridine-3-carboxylic acid);diethyl propanedioate;ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxylate;ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione;pyridine-3-carboxylic acid;1H-pyrido[4,3-d][1,3]oxazine-2,4-dione;trichloromethyl carbonochloridate
• SMILES: CCOC(=O)CC(=O)OCC.CCOC(=O)c1c(Cl)c2cnccc2[nH]c1=O.CCOC(=O)c1c(Cl)c2cnccc2n(Cc2ccc(OC)cc2)c1=O.COc1ccc(CN)cc1.COc1ccc(CNc2ccncc2C(=O)O)cc1.COc1ccc(Cn2c(=O)oc(=O)c3cnccc32)cc1.Clc1ccncc1.O=C(Cl)OC(Cl)(Cl)Cl.O=C(O)c1cccnc1.O=C(O)c1cnccc1Cl.O=C(O)c1cnccc1Cl.O=c1[nH]c2ccncc2c(=O)o1
• InChI: InChI=1S/C19H17ClN2O4.C15H12N2O4.C14H14N2O3.C11H9ClN2O3.C8H11NO.C7H4N2O3.C7H12O4.2C6H4ClNO2.C6H5NO2.C5H4ClN.C2Cl4O2/c1-3-26-19(24)16-17(20)14-10-21-9-8-15(14)22(18(16)23)11-12-4-6-13(25-2)7-5-12;1-20-11-4-2-10(3-5-11)9-17-13-6-7-16-8-12(13)14(18)21-15(17)19;1-19-11-4-2-10(3-5-11)8-16-13-6-7-15-9-12(13)14(17)18;1-2-17-11(16)8-9(12)6-5-13-4-3-7(6)14-10(8)15;1-10-8-4-2-7(6-9)3-5-8;10-6-4-3-8-2-1-5(4)9-7(11)12-6;1-3-10-6(8)5-7(9)11-4-2;2*7-5-1-2-8-3-4(5)6(9)10;8-6(9)5-2-1-3-7-4-5;6-5-1-3-7-4-2-5;3-1(7)8-2(4,5)6/h4-10H,3,11H2,1-2H3;2-8H,9H2,1H3;2-7,9H,8H2,1H3,(H,15,16)(H,17,18);3-5H,2H2,1H3,(H,14,15);2-5H,6,9H2,1H3;1-3H,(H,9,11);3-5H2,1-2H3;2*1-3H,(H,9,10);1-4H,(H,8,9);1-4H
• InChIKey: KCLKFWMFLDRASX-UHFFFAOYSA-N
• XLogP: 18.45
• TPSA: 641.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 24
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2379.09
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloropyridine;bis(4-chloropyridine-3-carboxylic acid);diethyl propanedioate;ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxylate;ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione;pyridine-3-carboxylic acid;1H-pyrido[4,3-d][1,3]oxazine-2,4-dione;trichloromethyl carbonochloridate?

The IUPAC name of 4-chloropyridine;bis(4-chloropyridine-3-carboxylic acid);diethyl propanedioate;ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxylate;ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione;pyridine-3-carboxylic acid;1H-pyrido[4,3-d][1,3]oxazine-2,4-dione;trichloromethyl carbonochloridate (CID 159094198) is 4-chloropyridine;bis(4-chloropyridine-3-carboxylic acid);diethyl propanedioate;ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxylate;ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione;pyridine-3-carboxylic acid;1H-pyrido[4,3-d][1,3]oxazine-2,4-dione;trichloromethyl carbonochloridate.

What is the SMILES notation for 4-chloropyridine;bis(4-chloropyridine-3-carboxylic acid);diethyl propanedioate;ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxylate;ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione;pyridine-3-carboxylic acid;1H-pyrido[4,3-d][1,3]oxazine-2,4-dione;trichloromethyl carbonochloridate?

The canonical SMILES for 4-chloropyridine;bis(4-chloropyridine-3-carboxylic acid);diethyl propanedioate;ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxylate;ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione;pyridine-3-carboxylic acid;1H-pyrido[4,3-d][1,3]oxazine-2,4-dione;trichloromethyl carbonochloridate is CCOC(=O)CC(=O)OCC.CCOC(=O)c1c(Cl)c2cnccc2[nH]c1=O.CCOC(=O)c1c(Cl)c2cnccc2n(Cc2ccc(OC)cc2)c1=O.COc1ccc(CN)cc1.COc1ccc(CNc2ccncc2C(=O)O)cc1.COc1ccc(Cn2c(=O)oc(=O)c3cnccc32)cc1.Clc1ccncc1.O=C(Cl)OC(Cl)(Cl)Cl.O=C(O)c1cccnc1.O=C(O)c1cnccc1Cl.O=C(O)c1cnccc1Cl.O=c1[nH]c2ccncc2c(=O)o1.

What is the InChIKey of 4-chloropyridine;bis(4-chloropyridine-3-carboxylic acid);diethyl propanedioate;ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxylate;ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione;pyridine-3-carboxylic acid;1H-pyrido[4,3-d][1,3]oxazine-2,4-dione;trichloromethyl carbonochloridate?

The InChIKey is KCLKFWMFLDRASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4.C15H12N2O4.C14H14N2O3.C11H9ClN2O3.C8H11NO.C7H4N2O3.C7H12O4.2C6H4ClNO2.C6H5NO2.C5H4ClN.C2Cl4O2/c1-3-26-19(24)16-17(20)14-10-21-9-8-15(14)22(18(16)23)11-12-4-6-13(25-2)7-5-12;1-20-11-4-2-10(3-5-11)9-17-13-6-7-16-8-12(13)14(18)21-15(17)19;1-19-11-4-2-10(3-5-11)8-16-13-6-7-15-9-12(13)14(17)18;1-2-17-11(16)8-9(12)6-5-13-4-3-7(6)14-10(8)15;1-10-8-4-2-7(6-9)3-5-8;10-6-4-3-8-2-1-5(4)9-7(11)12-6;1-3-10-6(8)5-7(9)11-4-2;2*7-5-1-2-8-3-4(5)6(9)10;8-6(9)5-2-1-3-7-4-5;6-5-1-3-7-4-2-5;3-1(7)8-2(4,5)6/h4-10H,3,11H2,1-2H3;2-8H,9H2,1H3;2-7,9H,8H2,1H3,(H,15,16)(H,17,18);3-5H,2H2,1H3,(H,14,15);2-5H,6,9H2,1H3;1-3H,(H,9,11);3-5H2,1-2H3;2*1-3H,(H,9,10);1-4H,(H,8,9);1-4H;.

What are the key properties of 4-chloropyridine;bis(4-chloropyridine-3-carboxylic acid);diethyl propanedioate;ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxylate;ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione;pyridine-3-carboxylic acid;1H-pyrido[4,3-d][1,3]oxazine-2,4-dione;trichloromethyl carbonochloridate?

4-chloropyridine;bis(4-chloropyridine-3-carboxylic acid);diethyl propanedioate;ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxylate;ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione;pyridine-3-carboxylic acid;1H-pyrido[4,3-d][1,3]oxazine-2,4-dione;trichloromethyl carbonochloridate has a molecular weight of 2379.09 g/mol, XLogP of 18.45, 24 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloropyridine;bis(4-chloropyridine-3-carboxylic acid);diethyl propanedioate;ethyl 4-chloro-1-[(4-methoxyphenyl)methyl]-2-oxo-1,6-naphthyridine-3-carboxylate;ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate;(4-methoxyphenyl)methanamine;4-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylic acid;1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione;pyridine-3-carboxylic acid;1H-pyrido[4,3-d][1,3]oxazine-2,4-dione;trichloromethyl carbonochloridate is sourced from PubChem (CID 159094198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).