2-chloro-5-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]pyridine;1-[(6-chloro-3-pyridinyl)methyl]-3-cyano-1,2-dimethylguanidine;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;1-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide

C75H92Cl8N40O13S2 — CID 172975749

About 2-chloro-5-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]pyridine;1-[(6-chloro-3-pyridinyl)methyl]-3-cyano-1,2-dimethylguanidine;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;1-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide

2-chloro-5-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]pyridine;1-[(6-chloro-3-pyridinyl)methyl]-3-cyano-1,2-dimethylguanidine;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;1-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide (PubChem CID 172975749) has the molecular formula C75H92Cl8N40O13S2 and a molecular weight of 2109.59 g/mol. Its IUPAC name is 2-chloro-5-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]pyridine;1-[(6-chloro-3-pyridinyl)methyl]-3-cyano-1,2-dimethylguanidine;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;1-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide.

Molecular Properties

• Compound Name: 2-chloro-5-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]pyridine;1-[(6-chloro-3-pyridinyl)methyl]-3-cyano-1,2-dimethylguanidine;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;1-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide
• PubChem CID: 172975749
• Molecular Formula: C75H92Cl8N40O13S2
• Molecular Weight: 2109.59 g/mol
• Exact Mass: 2104.47
• IUPAC Name: 2-chloro-5-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]pyridine;1-[(6-chloro-3-pyridinyl)methyl]-3-cyano-1,2-dimethylguanidine;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;1-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide
• SMILES: C/C(=N\C#N)N(C)Cc1ccc(Cl)nc1.C/N=C(\NC#N)N(C)Cc1ccc(Cl)nc1.CN/C(=N\[N+](=O)[O-])N(C)Cc1ccc(Cl)nc1.CN1CN(C)/C(=N\[N+](=O)[O-])N(Cc2ccc(Cl)nc2)C1.CN1CN(C)/C(=N\[N+](=O)[O-])N(Cc2cnc(Cl)s2)C1.CN1COCN(Cc2cnc(Cl)s2)/C1=N/[N+](=O)[O-].O=[N+]([O-])/C=C1\NCCN1c1ccc(Cl)nc1.O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1
• InChI: InChI=1S/C11H15ClN6O2.C10H12ClN5.C10H11ClN4.C9H13ClN6O2S.C9H10ClN5O2.C9H12ClN5O2.C9H9ClN4O2.C8H10ClN5O3S/c1-15-7-16(2)11(14-18(19)20)17(8-15)6-9-3-4-10(12)13-5-9;1-13-10(15-7-12)16(2)6-8-3-4-9(11)14-5-8;1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9;1-13-5-14(2)9(12-16(17)18)15(6-13)4-7-3-11-8(10)19-7;10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17;1-11-9(13-15(16)17)14(2)6-7-3-4-8(10)12-5-7;10-8-2-1-7(5-12-8)13-4-3-11-9(13)6-14(15)16;1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h3-5H,6-8H2,1-2H3;3-5H,6H2,1-2H3,(H,13,15);3-5H,6H2,1-2H3;3H,4-6H2,1-2H3;1-2,5H,3-4,6H2,(H,11,13);3-5H,6H2,1-2H3,(H,11,13);1-2,5-6,11H,3-4H2;2H,3-5H2,1H3/b14-11+;;14-8+;12-9+;;;9-6+;11-8+
• InChIKey: WTNIHEYBKMPOSM-NVGSRYEFSA-N
• XLogP: 8.97
• TPSA: 595.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2109.59
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]pyridine;1-[(6-chloro-3-pyridinyl)methyl]-3-cyano-1,2-dimethylguanidine;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;1-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide?

The IUPAC name of 2-chloro-5-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]pyridine;1-[(6-chloro-3-pyridinyl)methyl]-3-cyano-1,2-dimethylguanidine;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;1-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide (CID 172975749) is 2-chloro-5-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]pyridine;1-[(6-chloro-3-pyridinyl)methyl]-3-cyano-1,2-dimethylguanidine;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;1-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide.

What is the SMILES notation for 2-chloro-5-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]pyridine;1-[(6-chloro-3-pyridinyl)methyl]-3-cyano-1,2-dimethylguanidine;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;1-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide?

The canonical SMILES for 2-chloro-5-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]pyridine;1-[(6-chloro-3-pyridinyl)methyl]-3-cyano-1,2-dimethylguanidine;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;1-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide is C/C(=N\C#N)N(C)Cc1ccc(Cl)nc1.C/N=C(\NC#N)N(C)Cc1ccc(Cl)nc1.CN/C(=N\[N+](=O)[O-])N(C)Cc1ccc(Cl)nc1.CN1CN(C)/C(=N\[N+](=O)[O-])N(Cc2ccc(Cl)nc2)C1.CN1CN(C)/C(=N\[N+](=O)[O-])N(Cc2cnc(Cl)s2)C1.CN1COCN(Cc2cnc(Cl)s2)/C1=N/[N+](=O)[O-].O=[N+]([O-])/C=C1\NCCN1c1ccc(Cl)nc1.O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1.

What is the InChIKey of 2-chloro-5-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]pyridine;1-[(6-chloro-3-pyridinyl)methyl]-3-cyano-1,2-dimethylguanidine;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;1-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide?

The InChIKey is WTNIHEYBKMPOSM-NVGSRYEFSA-N. The full InChI is InChI=1S/C11H15ClN6O2.C10H12ClN5.C10H11ClN4.C9H13ClN6O2S.C9H10ClN5O2.C9H12ClN5O2.C9H9ClN4O2.C8H10ClN5O3S/c1-15-7-16(2)11(14-18(19)20)17(8-15)6-9-3-4-10(12)13-5-9;1-13-10(15-7-12)16(2)6-8-3-4-9(11)14-5-8;1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9;1-13-5-14(2)9(12-16(17)18)15(6-13)4-7-3-11-8(10)19-7;10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17;1-11-9(13-15(16)17)14(2)6-7-3-4-8(10)12-5-7;10-8-2-1-7(5-12-8)13-4-3-11-9(13)6-14(15)16;1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h3-5H,6-8H2,1-2H3;3-5H,6H2,1-2H3,(H,13,15);3-5H,6H2,1-2H3;3H,4-6H2,1-2H3;1-2,5H,3-4,6H2,(H,11,13);3-5H,6H2,1-2H3,(H,11,13);1-2,5-6,11H,3-4H2;2H,3-5H2,1H3/b14-11+;;14-8+;12-9+;;;9-6+;11-8+.

What are the key properties of 2-chloro-5-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]pyridine;1-[(6-chloro-3-pyridinyl)methyl]-3-cyano-1,2-dimethylguanidine;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;1-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide?

2-chloro-5-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]pyridine;1-[(6-chloro-3-pyridinyl)methyl]-3-cyano-1,2-dimethylguanidine;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;1-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide has a molecular weight of 2109.59 g/mol, XLogP of 8.97, 21 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]pyridine;1-[(6-chloro-3-pyridinyl)methyl]-3-cyano-1,2-dimethylguanidine;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;1-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide is sourced from PubChem (CID 172975749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).