2-chloro-5-nitro-3-(triazol-1-yl)pyridine;2-chloro-5-nitro-3-(triazol-2-yl)pyridine;3-iodo-5-nitro-1H-pyridin-2-one;5-nitro-3-(triazol-1-yl)-1H-pyridin-2-one;5-nitro-3-(triazol-2-yl)-1H-pyridin-2-one

C33H21Cl2IN22O13 — CID 157223118

IUPAC2-chloro-5-nitro-3-(triazol-1-yl)pyridine;2-chloro-5-nitro-3-(triazol-2-yl)pyridine;3-iodo-5-nitro-1H-pyridin-2-one;5-nitro-3-(triazol-1-yl)-1H-pyridin-2-one;5-nitro-3-(triazol-2-yl)-1H-pyridin-2-one
SMILESO=[N+]([O-])c1cnc(Cl)c(-n2ccnn2)c1.O=[N+]([O-])c1cnc(Cl)c(-n2nccn2)c1.O=c1[nH]cc([N+](=O)[O-])cc1-n1ccnn1.O=c1[nH]cc([N+](=O)[O-])cc1-n1nccn1.O=c1[nH]cc([N+](=O)[O-])cc1I
InChIInChI=1S/2C7H4ClN5O2.2C7H5N5O3.C5H3IN2O3/c8-7-6(12-2-1-10-11-12)3-5(4-9-7)13(14)15;8-7-6(12-10-1-2-11-12)3-5(4-9-7)13(14)15;13-7-6(11-2-1-9-10-11)3-5(4-8-7)12(14)15;13-7-6(11-9-1-2-10-11)3-5(4-8-7)12(14)15;6-4-1-3(8(10)11)2-7-5(4)9/h2*1-4H;2*1-4H,(H,8,13);1-2H,(H,7,9)
InChIKeyATFPJPNHECSPFT-UHFFFAOYSA-N
MW1131.48 g/mol
LogP3.06
Rot. Bonds9

About 2-chloro-5-nitro-3-(triazol-1-yl)pyridine;2-chloro-5-nitro-3-(triazol-2-yl)pyridine;3-iodo-5-nitro-1H-pyridin-2-one;5-nitro-3-(triazol-1-yl)-1H-pyridin-2-one;5-nitro-3-(triazol-2-yl)-1H-pyridin-2-one

2-chloro-5-nitro-3-(triazol-1-yl)pyridine;2-chloro-5-nitro-3-(triazol-2-yl)pyridine;3-iodo-5-nitro-1H-pyridin-2-one;5-nitro-3-(triazol-1-yl)-1H-pyridin-2-one;5-nitro-3-(triazol-2-yl)-1H-pyridin-2-one (PubChem CID 157223118) has the molecular formula C33H21Cl2IN22O13 and a molecular weight of 1131.48 g/mol. Its IUPAC name is 2-chloro-5-nitro-3-(triazol-1-yl)pyridine;2-chloro-5-nitro-3-(triazol-2-yl)pyridine;3-iodo-5-nitro-1H-pyridin-2-one;5-nitro-3-(triazol-1-yl)-1H-pyridin-2-one;5-nitro-3-(triazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name2-chloro-5-nitro-3-(triazol-1-yl)pyridine;2-chloro-5-nitro-3-(triazol-2-yl)pyridine;3-iodo-5-nitro-1H-pyridin-2-one;5-nitro-3-(triazol-1-yl)-1H-pyridin-2-one;5-nitro-3-(triazol-2-yl)-1H-pyridin-2-one
PubChem CID157223118
Molecular FormulaC33H21Cl2IN22O13
Molecular Weight1131.48 g/mol
Exact Mass1130.01
IUPAC Name2-chloro-5-nitro-3-(triazol-1-yl)pyridine;2-chloro-5-nitro-3-(triazol-2-yl)pyridine;3-iodo-5-nitro-1H-pyridin-2-one;5-nitro-3-(triazol-1-yl)-1H-pyridin-2-one;5-nitro-3-(triazol-2-yl)-1H-pyridin-2-one
SMILESO=[N+]([O-])c1cnc(Cl)c(-n2ccnn2)c1.O=[N+]([O-])c1cnc(Cl)c(-n2nccn2)c1.O=c1[nH]cc([N+](=O)[O-])cc1-n1ccnn1.O=c1[nH]cc([N+](=O)[O-])cc1-n1nccn1.O=c1[nH]cc([N+](=O)[O-])cc1I
InChIInChI=1S/2C7H4ClN5O2.2C7H5N5O3.C5H3IN2O3/c8-7-6(12-2-1-10-11-12)3-5(4-9-7)13(14)15;8-7-6(12-10-1-2-11-12)3-5(4-9-7)13(14)15;13-7-6(11-2-1-9-10-11)3-5(4-8-7)12(14)15;13-7-6(11-9-1-2-10-11)3-5(4-8-7)12(14)15;6-4-1-3(8(10)11)2-7-5(4)9/h2*1-4H;2*1-4H,(H,8,13);1-2H,(H,7,9)
InChIKeyATFPJPNHECSPFT-UHFFFAOYSA-N
XLogP3.06
TPSA462.90 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.48
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-5-nitro-3-(triazol-1-yl)pyridine;2-chloro-5-nitro-3-(triazol-2-yl)pyridine;3-iodo-5-nitro-1H-pyridin-2-one;5-nitro-3-(triazol-1-yl)-1H-pyridin-2-one;5-nitro-3-(triazol-2-yl)-1H-pyridin-2-one with MolForge

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Related Compounds

5-amino-3-chloro-1-methyl-6-pyrazol-1-ylpyridin-2-one;3-chloro-1-methyl-5-nitro-6-pyrazol-1-ylpyridin-2-one;3-chloro-5-nitro-6-pyrazol-1-yl-1H-pyridin-2-one;3,6-dichloro-5-nitro-1H-pyridin-2-one;2,3,6-trichloro-5-nitropyridine;2,3,6-trichloropyridine
CID 160792030

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitro-3-(triazol-1-yl)pyridine;2-chloro-5-nitro-3-(triazol-2-yl)pyridine;3-iodo-5-nitro-1H-pyridin-2-one;5-nitro-3-(triazol-1-yl)-1H-pyridin-2-one;5-nitro-3-(triazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 2-chloro-5-nitro-3-(triazol-1-yl)pyridine;2-chloro-5-nitro-3-(triazol-2-yl)pyridine;3-iodo-5-nitro-1H-pyridin-2-one;5-nitro-3-(triazol-1-yl)-1H-pyridin-2-one;5-nitro-3-(triazol-2-yl)-1H-pyridin-2-one (CID 157223118) is 2-chloro-5-nitro-3-(triazol-1-yl)pyridine;2-chloro-5-nitro-3-(triazol-2-yl)pyridine;3-iodo-5-nitro-1H-pyridin-2-one;5-nitro-3-(triazol-1-yl)-1H-pyridin-2-one;5-nitro-3-(triazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 2-chloro-5-nitro-3-(triazol-1-yl)pyridine;2-chloro-5-nitro-3-(triazol-2-yl)pyridine;3-iodo-5-nitro-1H-pyridin-2-one;5-nitro-3-(triazol-1-yl)-1H-pyridin-2-one;5-nitro-3-(triazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 2-chloro-5-nitro-3-(triazol-1-yl)pyridine;2-chloro-5-nitro-3-(triazol-2-yl)pyridine;3-iodo-5-nitro-1H-pyridin-2-one;5-nitro-3-(triazol-1-yl)-1H-pyridin-2-one;5-nitro-3-(triazol-2-yl)-1H-pyridin-2-one is O=[N+]([O-])c1cnc(Cl)c(-n2ccnn2)c1.O=[N+]([O-])c1cnc(Cl)c(-n2nccn2)c1.O=c1[nH]cc([N+](=O)[O-])cc1-n1ccnn1.O=c1[nH]cc([N+](=O)[O-])cc1-n1nccn1.O=c1[nH]cc([N+](=O)[O-])cc1I.
What is the InChIKey of 2-chloro-5-nitro-3-(triazol-1-yl)pyridine;2-chloro-5-nitro-3-(triazol-2-yl)pyridine;3-iodo-5-nitro-1H-pyridin-2-one;5-nitro-3-(triazol-1-yl)-1H-pyridin-2-one;5-nitro-3-(triazol-2-yl)-1H-pyridin-2-one?
The InChIKey is ATFPJPNHECSPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H4ClN5O2.2C7H5N5O3.C5H3IN2O3/c8-7-6(12-2-1-10-11-12)3-5(4-9-7)13(14)15;8-7-6(12-10-1-2-11-12)3-5(4-9-7)13(14)15;13-7-6(11-2-1-9-10-11)3-5(4-8-7)12(14)15;13-7-6(11-9-1-2-10-11)3-5(4-8-7)12(14)15;6-4-1-3(8(10)11)2-7-5(4)9/h2*1-4H;2*1-4H,(H,8,13);1-2H,(H,7,9).
What are the key properties of 2-chloro-5-nitro-3-(triazol-1-yl)pyridine;2-chloro-5-nitro-3-(triazol-2-yl)pyridine;3-iodo-5-nitro-1H-pyridin-2-one;5-nitro-3-(triazol-1-yl)-1H-pyridin-2-one;5-nitro-3-(triazol-2-yl)-1H-pyridin-2-one?
2-chloro-5-nitro-3-(triazol-1-yl)pyridine;2-chloro-5-nitro-3-(triazol-2-yl)pyridine;3-iodo-5-nitro-1H-pyridin-2-one;5-nitro-3-(triazol-1-yl)-1H-pyridin-2-one;5-nitro-3-(triazol-2-yl)-1H-pyridin-2-one has a molecular weight of 1131.48 g/mol, XLogP of 3.06, 9 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitro-3-(triazol-1-yl)pyridine;2-chloro-5-nitro-3-(triazol-2-yl)pyridine;3-iodo-5-nitro-1H-pyridin-2-one;5-nitro-3-(triazol-1-yl)-1H-pyridin-2-one;5-nitro-3-(triazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 157223118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).