chloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride

C37H35Cl9N16O9 — CID 159890259

IUPACchloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride
SMILESCNc1cc(Cl)ncc1N.CNc1cc(Cl)ncc1[N+](=O)[O-].C[N+](C)=CCl.Cn1cnc2cnc(Cl)cc21.O=[N+]([O-])c1cnc(Cl)cc1Cl.O=[N+]([O-])c1cnccc1Cl.O=c1cc(Cl)c([N+](=O)[O-])c[nH]1.[Cl-]
InChIInChI=1S/C7H6ClN3.C6H6ClN3O2.C6H8ClN3.C5H2Cl2N2O2.C5H3ClN2O3.C5H3ClN2O2.C3H7ClN.ClH/c1-11-4-10-5-3-9-7(8)2-6(5)11;1-8-4-2-6(7)9-3-5(4)10(11)12;1-9-5-2-6(7)10-3-4(5)8;6-3-1-5(7)8-2-4(3)9(10)11;6-3-1-5(9)7-2-4(3)8(10)11;6-4-1-2-7-3-5(4)8(9)10;1-5(2)3-4;/h2-4H,1H3;2-3H,1H3,(H,8,9);2-3H,8H2,1H3,(H,9,10);1-2H;1-2H,(H,7,9);1-3H;3H,1-2H3;1H/q;;;;;;+1;/p-1
InChIKeyHJAFJRYMEYLWDA-UHFFFAOYSA-M
MW1166.87 g/mol
LogP7.07
Rot. Bonds6

About chloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride

chloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride (PubChem CID 159890259) has the molecular formula C37H35Cl9N16O9 and a molecular weight of 1166.87 g/mol. Its IUPAC name is chloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride.

Molecular Properties

Compound Namechloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride
PubChem CID159890259
Molecular FormulaC37H35Cl9N16O9
Molecular Weight1166.87 g/mol
Exact Mass1162.00
IUPAC Namechloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride
SMILESCNc1cc(Cl)ncc1N.CNc1cc(Cl)ncc1[N+](=O)[O-].C[N+](C)=CCl.Cn1cnc2cnc(Cl)cc21.O=[N+]([O-])c1cnc(Cl)cc1Cl.O=[N+]([O-])c1cnccc1Cl.O=c1cc(Cl)c([N+](=O)[O-])c[nH]1.[Cl-]
InChIInChI=1S/C7H6ClN3.C6H6ClN3O2.C6H8ClN3.C5H2Cl2N2O2.C5H3ClN2O3.C5H3ClN2O2.C3H7ClN.ClH/c1-11-4-10-5-3-9-7(8)2-6(5)11;1-8-4-2-6(7)9-3-5(4)10(11)12;1-9-5-2-6(7)10-3-4(5)8;6-3-1-5(7)8-2-4(3)9(10)11;6-3-1-5(9)7-2-4(3)8(10)11;6-4-1-2-7-3-5(4)8(9)10;1-5(2)3-4;/h2-4H,1H3;2-3H,1H3,(H,8,9);2-3H,8H2,1H3,(H,9,10);1-2H;1-2H,(H,7,9);1-3H;3H,1-2H3;1H/q;;;;;;+1;/p-1
InChIKeyHJAFJRYMEYLWDA-UHFFFAOYSA-M
XLogP7.07
TPSA340.78 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001166.87
LogP ≤ 57.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-Amino-2-pyridinyl)pyrrolidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(3-nitro-2-pyridinyl)pyrrolidin-2-one;palladium;pyrrolidin-2-one;2,4,5-trichloro-1-methylpyrimidin-1-ium
CID 157385025
1-benzyl-2-butyl-4-chloroimidazo[4,5-c]pyridine;N-benzyl-2-chloro-3-nitropyridin-4-amine;N-benzyl-2-chloro-5-nitropyridin-4-amine;4-N-benzyl-2-chloropyridine-3,4-diamine;4-N-benzyl-6-chloropyridine-3,4-diamine;2-chloro-3-nitropyridin-4-amine;2-chloro-5-nitropyridin-4-amine;2-chloropyridin-4-amine
CID 157969614
acetonitrile;4-chloro-3-nitropyridine;deuterio(iodo)methane;methanol;N-(3-nitro-4-pyridinyl)pyrimidin-2-amine;pyrimidin-2-amine;1-pyrimidin-2-yl-3H-imidazo[4,5-c]pyridin-2-one;4-N-pyrimidin-2-ylpyridine-3,4-diamine
CID 158136546
acetonitrile;4-chloro-3-nitropyridine;deuterio(iodo)methane;methanol;N-(3-nitro-4-pyridinyl)pyrimidin-4-amine;pyrimidin-4-amine;1-pyrimidin-4-yl-3H-imidazo[4,5-c]pyridin-2-one;4-N-pyrimidin-4-ylpyridine-3,4-diamine
CID 158352653
3-tert-butyl-5-chloroimidazo[4,5-b]pyridine;N-tert-butyl-6-chloro-3-nitropyridin-2-amine;2-N-tert-butyl-6-chloropyridine-2,3-diamine;2,6-dichloro-3-nitropyridine;2-methylpropan-2-amine
CID 159267286
N,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;4-N,4-N-dibenzyl-6-chloro-2-N-methyl-3-nitropyridine-2,4-diamine;4-N,4-N-dibenzyl-6-chloro-2-N-methylpyridine-2,3,4-triamine;N,N-dibenzyl-2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloro-3-nitropyridin-4-amine;2,6-dichloropyridin-4-amine
CID 159905025
1-(3-Amino-2-pyridinyl)piperidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]piperidin-2-one;molecular hydrogen;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,3,6-trichloropyridine
CID 161046366
2,6-dichloro-9-(5-nitro-2-pyridinyl)purine;N-[6-(2,6-dichloropurin-9-yl)-3-pyridinyl]-N-hydroxyacetamide
CID 161261960
6-bromo-2-chloro-4-nitro-N-propan-2-ylpyridin-3-amine;6-bromo-4-chloro-3-propan-2-ylimidazo[4,5-c]pyridine;6-bromo-2-chloro-3-N-propan-2-ylpyridine-3,4-diamine;2-bromo-5-fluoro-1-hydroxy-4-nitropyridin-1-ium;6-bromo-1-hydroxy-4-nitro-N-propan-2-ylpyridin-1-ium-3-amine;propan-2-amine
CID 161451391
acetonitrile;4-chloro-3-nitropyridine;methanol;N-(3-nitro-4-pyridinyl)pyrimidin-4-amine;pyrimidin-4-amine;1-pyrimidin-4-yl-3H-imidazo[4,5-c]pyridin-2-one;4-N-pyrimidin-4-ylpyridine-3,4-diamine
CID 161461986
5-chloro-3-ethylimidazo[4,5-b]pyridin-2-amine;6-chloro-N-ethyl-3-nitropyridin-2-amine;6-chloro-2-N-ethylpyridine-2,3-diamine;3-ethylimidazo[4,5-b]pyridin-2-amine
CID 161507886
4-Chloro-3-nitropyridine;methyl 4-aminopiperidine-1-carboxylate;methyl 4-[(3-amino-4-pyridinyl)amino]piperidine-1-carboxylate;methyl 4-imidazo[4,5-c]pyridin-1-ylpiperidine-1-carboxylate;methyl 4-[(3-nitro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 161569185

Frequently Asked Questions

What is the IUPAC name of chloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride?
The IUPAC name of chloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride (CID 159890259) is chloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride.
What is the SMILES notation for chloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride?
The canonical SMILES for chloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride is CNc1cc(Cl)ncc1N.CNc1cc(Cl)ncc1[N+](=O)[O-].C[N+](C)=CCl.Cn1cnc2cnc(Cl)cc21.O=[N+]([O-])c1cnc(Cl)cc1Cl.O=[N+]([O-])c1cnccc1Cl.O=c1cc(Cl)c([N+](=O)[O-])c[nH]1.[Cl-].
What is the InChIKey of chloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride?
The InChIKey is HJAFJRYMEYLWDA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6ClN3.C6H6ClN3O2.C6H8ClN3.C5H2Cl2N2O2.C5H3ClN2O3.C5H3ClN2O2.C3H7ClN.ClH/c1-11-4-10-5-3-9-7(8)2-6(5)11;1-8-4-2-6(7)9-3-5(4)10(11)12;1-9-5-2-6(7)10-3-4(5)8;6-3-1-5(7)8-2-4(3)9(10)11;6-3-1-5(9)7-2-4(3)8(10)11;6-4-1-2-7-3-5(4)8(9)10;1-5(2)3-4;/h2-4H,1H3;2-3H,1H3,(H,8,9);2-3H,8H2,1H3,(H,9,10);1-2H;1-2H,(H,7,9);1-3H;3H,1-2H3;1H/q;;;;;;+1;/p-1.
What are the key properties of chloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride?
chloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride has a molecular weight of 1166.87 g/mol, XLogP of 7.07, 6 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride is sourced from PubChem (CID 159890259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).