3-amino-5-chloropyridine-2-carboxamide;2-bromo-5-chloro-3-nitropyridine;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;5-chloro-3-nitropyridine-2-carbonitrile;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;methane

C38H25BrCl7F6N11O10S2 — CID 159025157

IUPAC3-amino-5-chloropyridine-2-carboxamide;2-bromo-5-chloro-3-nitropyridine;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;5-chloro-3-nitropyridine-2-carbonitrile;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;methane
SMILESC.N#Cc1ncc(Cl)cc1[N+](=O)[O-].NC(=O)c1ncc(Cl)cc1N.NC(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.O=S(=O)(Cl)c1ccc(Cl)c(C(F)(F)F)c1.O=[N+]([O-])c1cc(Cl)cnc1Br
InChIInChI=1S/C13H8Cl2F3N3O3S.C7H3Cl2F3O2S.C6H2ClN3O2.C6H6ClN3O.C5H2BrClN2O2.CH4/c14-6-3-10(11(12(19)22)20-5-6)21-25(23,24)7-1-2-9(15)8(4-7)13(16,17)18;8-6-2-1-4(15(9,13)14)3-5(6)7(10,11)12;7-4-1-6(10(11)12)5(2-8)9-3-4;7-3-1-4(8)5(6(9)11)10-2-3;6-5-4(9(10)11)1-3(7)2-8-5;/h1-5,21H,(H2,19,22);1-3H;1,3H;1-2H,8H2,(H2,9,11);1-2H;1H4
InChIKeyJUEOTYSEHXLSPE-UHFFFAOYSA-N
MW1301.88 g/mol
LogP11.57
Rot. Bonds8

About 3-amino-5-chloropyridine-2-carboxamide;2-bromo-5-chloro-3-nitropyridine;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;5-chloro-3-nitropyridine-2-carbonitrile;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;methane

3-amino-5-chloropyridine-2-carboxamide;2-bromo-5-chloro-3-nitropyridine;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;5-chloro-3-nitropyridine-2-carbonitrile;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;methane (PubChem CID 159025157) has the molecular formula C38H25BrCl7F6N11O10S2 and a molecular weight of 1301.88 g/mol. Its IUPAC name is 3-amino-5-chloropyridine-2-carboxamide;2-bromo-5-chloro-3-nitropyridine;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;5-chloro-3-nitropyridine-2-carbonitrile;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;methane.

Molecular Properties

Compound Name3-amino-5-chloropyridine-2-carboxamide;2-bromo-5-chloro-3-nitropyridine;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;5-chloro-3-nitropyridine-2-carbonitrile;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;methane
PubChem CID159025157
Molecular FormulaC38H25BrCl7F6N11O10S2
Molecular Weight1301.88 g/mol
Exact Mass1296.81
IUPAC Name3-amino-5-chloropyridine-2-carboxamide;2-bromo-5-chloro-3-nitropyridine;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;5-chloro-3-nitropyridine-2-carbonitrile;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;methane
SMILESC.N#Cc1ncc(Cl)cc1[N+](=O)[O-].NC(=O)c1ncc(Cl)cc1N.NC(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.O=S(=O)(Cl)c1ccc(Cl)c(C(F)(F)F)c1.O=[N+]([O-])c1cc(Cl)cnc1Br
InChIInChI=1S/C13H8Cl2F3N3O3S.C7H3Cl2F3O2S.C6H2ClN3O2.C6H6ClN3O.C5H2BrClN2O2.CH4/c14-6-3-10(11(12(19)22)20-5-6)21-25(23,24)7-1-2-9(15)8(4-7)13(16,17)18;8-6-2-1-4(15(9,13)14)3-5(6)7(10,11)12;7-4-1-6(10(11)12)5(2-8)9-3-4;7-3-1-4(8)5(6(9)11)10-2-3;6-5-4(9(10)11)1-3(7)2-8-5;/h1-5,21H,(H2,19,22);1-3H;1,3H;1-2H,8H2,(H2,9,11);1-2H;1H4
InChIKeyJUEOTYSEHXLSPE-UHFFFAOYSA-N
XLogP11.57
TPSA354.14 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001301.88
LogP ≤ 511.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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 3-amino-5-chloropyridine-2-carboxamide;2-bromo-5-chloro-3-nitropyridine;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;5-chloro-3-nitropyridine-2-carbonitrile;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;methane with MolForge

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Related Compounds

N-[2-(2-amino-6-chlorobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-chloro-2-(2-chloro-6-nitrobenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 158013080
4-chloro-N-[5-chloro-2-(pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11591022
4-chloro-N-[5-chloro-2-(3-methylbenzoyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11554926
4-chloro-N-[5-chloro-2-[2-(methylamino)benzoyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 143262645
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]benzoic acid;methane;methyl 2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]benzoate
CID 159754215
4-chloro-N-[5-chloro-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 58268198
2-[5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carbonyl]-3-methylbenzoic acid
CID 11635148
N-[2-[C-(2-amino-4-pyridinyl)-N-methoxycarbonimidoyl]-5-chloro-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 76653652
4-chloro-N-(5-chloro-2-methoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 67227108
4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxylic acid;methyl 3-aminopyridine-2-carboxylate
CID 158900667
4-chloro-N-[5-chloro-2-(5-chloro-2-pyrazol-1-ylpyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 59224616
N-[2-(2-aminobenzoyl)-5-chloro-3-pyridinyl]-4-chloro-3-methylbenzenesulfonamide
CID 58268290

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloropyridine-2-carboxamide;2-bromo-5-chloro-3-nitropyridine;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;5-chloro-3-nitropyridine-2-carbonitrile;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;methane?
The IUPAC name of 3-amino-5-chloropyridine-2-carboxamide;2-bromo-5-chloro-3-nitropyridine;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;5-chloro-3-nitropyridine-2-carbonitrile;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;methane (CID 159025157) is 3-amino-5-chloropyridine-2-carboxamide;2-bromo-5-chloro-3-nitropyridine;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;5-chloro-3-nitropyridine-2-carbonitrile;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;methane.
What is the SMILES notation for 3-amino-5-chloropyridine-2-carboxamide;2-bromo-5-chloro-3-nitropyridine;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;5-chloro-3-nitropyridine-2-carbonitrile;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;methane?
The canonical SMILES for 3-amino-5-chloropyridine-2-carboxamide;2-bromo-5-chloro-3-nitropyridine;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;5-chloro-3-nitropyridine-2-carbonitrile;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;methane is C.N#Cc1ncc(Cl)cc1[N+](=O)[O-].NC(=O)c1ncc(Cl)cc1N.NC(=O)c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.O=S(=O)(Cl)c1ccc(Cl)c(C(F)(F)F)c1.O=[N+]([O-])c1cc(Cl)cnc1Br.
What is the InChIKey of 3-amino-5-chloropyridine-2-carboxamide;2-bromo-5-chloro-3-nitropyridine;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;5-chloro-3-nitropyridine-2-carbonitrile;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;methane?
The InChIKey is JUEOTYSEHXLSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3N3O3S.C7H3Cl2F3O2S.C6H2ClN3O2.C6H6ClN3O.C5H2BrClN2O2.CH4/c14-6-3-10(11(12(19)22)20-5-6)21-25(23,24)7-1-2-9(15)8(4-7)13(16,17)18;8-6-2-1-4(15(9,13)14)3-5(6)7(10,11)12;7-4-1-6(10(11)12)5(2-8)9-3-4;7-3-1-4(8)5(6(9)11)10-2-3;6-5-4(9(10)11)1-3(7)2-8-5;/h1-5,21H,(H2,19,22);1-3H;1,3H;1-2H,8H2,(H2,9,11);1-2H;1H4.
What are the key properties of 3-amino-5-chloropyridine-2-carboxamide;2-bromo-5-chloro-3-nitropyridine;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;5-chloro-3-nitropyridine-2-carbonitrile;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;methane?
3-amino-5-chloropyridine-2-carboxamide;2-bromo-5-chloro-3-nitropyridine;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;5-chloro-3-nitropyridine-2-carbonitrile;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;methane has a molecular weight of 1301.88 g/mol, XLogP of 11.57, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloropyridine-2-carboxamide;2-bromo-5-chloro-3-nitropyridine;5-chloro-3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]pyridine-2-carboxamide;5-chloro-3-nitropyridine-2-carbonitrile;4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride;methane is sourced from PubChem (CID 159025157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).