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

C41H26Cl11N17O12 — CID 160792030

IUPAC5-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
SMILESClc1ccc(Cl)c(Cl)n1.Cn1c(-n2cccn2)c(N)cc(Cl)c1=O.Cn1c(-n2cccn2)c([N+](=O)[O-])cc(Cl)c1=O.O=[N+]([O-])c1cc(Cl)c(Cl)nc1Cl.O=c1[nH]c(-n2cccn2)c([N+](=O)[O-])cc1Cl.O=c1[nH]c(Cl)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H7ClN4O3.C9H9ClN4O.C8H5ClN4O3.C5HCl3N2O2.C5H2Cl3N.C5H2Cl2N2O3/c1-12-8(13-4-2-3-11-13)7(14(16)17)5-6(10)9(12)15;1-13-8(14-4-2-3-12-14)7(11)5-6(10)9(13)15;9-5-4-6(13(15)16)7(11-8(5)14)12-3-1-2-10-12;6-2-1-3(10(11)12)5(8)9-4(2)7;6-3-1-2-4(7)9-5(3)8;6-2-1-3(9(11)12)4(7)8-5(2)10/h2-5H,1H3;2-5H,11H2,1H3;1-4H,(H,11,14);1H;1-2H;1H,(H,8,10)
InChIKeySBYIRDJHIJKHAA-UHFFFAOYSA-N
MW1338.75 g/mol
LogP10.64
Rot. Bonds7

About 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

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 (PubChem CID 160792030) has the molecular formula C41H26Cl11N17O12 and a molecular weight of 1338.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID160792030
Molecular FormulaC41H26Cl11N17O12
Molecular Weight1338.75 g/mol
Exact Mass1332.85
IUPAC Name5-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
SMILESClc1ccc(Cl)c(Cl)n1.Cn1c(-n2cccn2)c(N)cc(Cl)c1=O.Cn1c(-n2cccn2)c([N+](=O)[O-])cc(Cl)c1=O.O=[N+]([O-])c1cc(Cl)c(Cl)nc1Cl.O=c1[nH]c(-n2cccn2)c([N+](=O)[O-])cc1Cl.O=c1[nH]c(Cl)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C9H7ClN4O3.C9H9ClN4O.C8H5ClN4O3.C5HCl3N2O2.C5H2Cl3N.C5H2Cl2N2O3/c1-12-8(13-4-2-3-11-13)7(14(16)17)5-6(10)9(12)15;1-13-8(14-4-2-3-12-14)7(11)5-6(10)9(13)15;9-5-4-6(13(15)16)7(11-8(5)14)12-3-1-2-10-12;6-2-1-3(10(11)12)5(8)9-4(2)7;6-3-1-2-4(7)9-5(3)8;6-2-1-3(9(11)12)4(7)8-5(2)10/h2-5H,1H3;2-5H,11H2,1H3;1-4H,(H,11,14);1H;1-2H;1H,(H,8,10)
InChIKeySBYIRDJHIJKHAA-UHFFFAOYSA-N
XLogP10.64
TPSA387.54 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001338.75
LogP ≤ 510.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine
CID 159453416

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Clc1ccc(Cl)c(Cl)n1.Cn1c(-n2cccn2)c(N)cc(Cl)c1=O.Cn1c(-n2cccn2)c([N+](=O)[O-])cc(Cl)c1=O.O=[N+]([O-])c1cc(Cl)c(Cl)nc1Cl.O=c1[nH]c(-n2cccn2)c([N+](=O)[O-])cc1Cl.O=c1[nH]c(Cl)c([N+](=O)[O-])cc1Cl.
What is the InChIKey of 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?
The InChIKey is SBYIRDJHIJKHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O3.C9H9ClN4O.C8H5ClN4O3.C5HCl3N2O2.C5H2Cl3N.C5H2Cl2N2O3/c1-12-8(13-4-2-3-11-13)7(14(16)17)5-6(10)9(12)15;1-13-8(14-4-2-3-12-14)7(11)5-6(10)9(13)15;9-5-4-6(13(15)16)7(11-8(5)14)12-3-1-2-10-12;6-2-1-3(10(11)12)5(8)9-4(2)7;6-3-1-2-4(7)9-5(3)8;6-2-1-3(9(11)12)4(7)8-5(2)10/h2-5H,1H3;2-5H,11H2,1H3;1-4H,(H,11,14);1H;1-2H;1H,(H,8,10).
What are the key properties of 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?
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 has a molecular weight of 1338.75 g/mol, XLogP of 10.64, 7 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160792030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).