6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;N-[6-(2-ethyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride

C71H51BCl2F19N11O8S3 — CID 165040945

IUPAC6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;N-[6-(2-ethyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride
SMILESC=Cc1ccc(F)cc1-c1nc(N)ccc1C(F)(F)F.C=Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.C=Cc1ccc(F)cc1B(O)O.CCc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.Nc1ccc(C(F)(F)F)c(Cl)n1.O=S(=O)(Cl)c1cccc(F)n1
InChIInChI=1S/C19H14F5N3O2S.C19H12F5N3O2S.C14H10F4N2.C8H8BFO2.C6H4ClF3N2.C5H3ClFNO2S/c2*1-2-11-6-7-12(20)10-13(11)18-14(19(22,23)24)8-9-16(26-18)27-30(28,29)17-5-3-4-15(21)25-17;1-2-8-3-4-9(15)7-10(8)13-11(14(16,17)18)5-6-12(19)20-13;1-2-6-3-4-7(10)5-8(6)9(11)12;7-5-3(6(8,9)10)1-2-4(11)12-5;6-11(9,10)5-3-1-2-4(7)8-5/h3-10H,2H2,1H3,(H,26,27);2-10H,1H2,(H,26,27);2-7H,1H2,(H2,19,20);2-5,11-12H,1H2;1-2H,(H2,11,12);1-3H
InChIKeyOCRXJCDYBPXAMR-UHFFFAOYSA-N
MW1725.14 g/mol
LogP17.45
Rot. Bonds15

About 6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;N-[6-(2-ethyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride

6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;N-[6-(2-ethyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride (PubChem CID 165040945) has the molecular formula C71H51BCl2F19N11O8S3 and a molecular weight of 1725.14 g/mol. Its IUPAC name is 6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;N-[6-(2-ethyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;N-[6-(2-ethyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride
PubChem CID165040945
Molecular FormulaC71H51BCl2F19N11O8S3
Molecular Weight1725.14 g/mol
Exact Mass1723.23
IUPAC Name6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;N-[6-(2-ethyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride
SMILESC=Cc1ccc(F)cc1-c1nc(N)ccc1C(F)(F)F.C=Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.C=Cc1ccc(F)cc1B(O)O.CCc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.Nc1ccc(C(F)(F)F)c(Cl)n1.O=S(=O)(Cl)c1cccc(F)n1
InChIInChI=1S/C19H14F5N3O2S.C19H12F5N3O2S.C14H10F4N2.C8H8BFO2.C6H4ClF3N2.C5H3ClFNO2S/c2*1-2-11-6-7-12(20)10-13(11)18-14(19(22,23)24)8-9-16(26-18)27-30(28,29)17-5-3-4-15(21)25-17;1-2-8-3-4-9(15)7-10(8)13-11(14(16,17)18)5-6-12(19)20-13;1-2-6-3-4-7(10)5-8(6)9(11)12;7-5-3(6(8,9)10)1-2-4(11)12-5;6-11(9,10)5-3-1-2-4(7)8-5/h3-10H,2H2,1H3,(H,26,27);2-10H,1H2,(H,26,27);2-7H,1H2,(H2,19,20);2-5,11-12H,1H2;1-2H,(H2,11,12);1-3H
InChIKeyOCRXJCDYBPXAMR-UHFFFAOYSA-N
XLogP17.45
TPSA309.21 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001725.14
LogP ≤ 517.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;N-[6-(2-ethyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride with MolForge

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Related Compounds

6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;ethane;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride
CID 159101446
6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;2-chloro-1-oxido-3-(trifluoromethyl)pyridin-1-ium;2-chloro-3-(trifluoromethyl)pyridine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;2-(2-methylphenyl)-1-oxido-3-(trifluoromethyl)pyridin-1-ium;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine;phosphoryl trichloride
CID 160082004
6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-propan-2-ylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-propan-2-ylphenyl)boronic acid;6-(2-propan-2-ylphenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 160096552
carbanide;6-chloro-2-(2-methylphenyl)-3-(trifluoromethyl)pyridine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;palladium
CID 160648762
6-chloro-2-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)pyridine;2-chloro-1-oxido-3-(trifluoromethyl)pyridin-1-ium;6-fluoro-N-[6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;(5-fluoro-2-methylphenyl)boronic acid;2-(5-fluoro-2-methylphenyl)-1-oxido-3-(trifluoromethyl)pyridin-1-ium;6-(5-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride;phosphoryl trichloride
CID 161896089
6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-fluoro-3-pyridinyl)boronic acid;6-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)pyridin-2-amine
CID 163454810
6-bromo-N-[6-(2-ethenylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-bromopyridine-2-sulfonyl chloride;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenylphenyl)boronic acid;6-(2-ethenylphenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 163917415
N-[5-chloro-6-(2-ethenyl-5-fluorophenyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;6-fluoropyridine-2-sulfonyl chloride
CID 163919488
2-[19,19-dioxo-24-(trifluoromethyl)-19lambda6-thia-13,20,25,26-tetrazatetracyclo[19.3.1.114,18.02,7]hexacosa-1(24),2,4,6,14(26),15,17,21(25),22-nonaen-13-yl]ethanamine;(8E)-13-propyl-24-(trifluoromethyl)-19lambda6-thia-13,20,25,26-tetrazatetracyclo[19.3.1.114,18.02,7]hexacosa-1(24),2,4,6,8,14(26),15,17,21(25),22-decaene 19,19-dioxide
CID 163976817
6-chloro-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-cyclopropyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoro-N-(methoxymethyl)pyridine-2-sulfonamide;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoro-N-(methoxymethyl)pyridine-2-sulfonamide;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride
CID 165054575
6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-phenylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-phenylphenyl)boronic acid;6-(2-phenylphenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 165072102
6-chloro-5-(trifluoromethyl)pyridin-2-amine;6-fluoro-N-[6-(2-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]pyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride;(2-methylphenyl)boronic acid;6-(2-methylphenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 165096070

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;N-[6-(2-ethyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride?
The IUPAC name of 6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;N-[6-(2-ethyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride (CID 165040945) is 6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;N-[6-(2-ethyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride.
What is the SMILES notation for 6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;N-[6-(2-ethyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride?
The canonical SMILES for 6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;N-[6-(2-ethyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride is C=Cc1ccc(F)cc1-c1nc(N)ccc1C(F)(F)F.C=Cc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.C=Cc1ccc(F)cc1B(O)O.CCc1ccc(F)cc1-c1nc(NS(=O)(=O)c2cccc(F)n2)ccc1C(F)(F)F.Nc1ccc(C(F)(F)F)c(Cl)n1.O=S(=O)(Cl)c1cccc(F)n1.
What is the InChIKey of 6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;N-[6-(2-ethyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride?
The InChIKey is OCRXJCDYBPXAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N3O2S.C19H12F5N3O2S.C14H10F4N2.C8H8BFO2.C6H4ClF3N2.C5H3ClFNO2S/c2*1-2-11-6-7-12(20)10-13(11)18-14(19(22,23)24)8-9-16(26-18)27-30(28,29)17-5-3-4-15(21)25-17;1-2-8-3-4-9(15)7-10(8)13-11(14(16,17)18)5-6-12(19)20-13;1-2-6-3-4-7(10)5-8(6)9(11)12;7-5-3(6(8,9)10)1-2-4(11)12-5;6-11(9,10)5-3-1-2-4(7)8-5/h3-10H,2H2,1H3,(H,26,27);2-10H,1H2,(H,26,27);2-7H,1H2,(H2,19,20);2-5,11-12H,1H2;1-2H,(H2,11,12);1-3H.
What are the key properties of 6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;N-[6-(2-ethyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride?
6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;N-[6-(2-ethyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride has a molecular weight of 1725.14 g/mol, XLogP of 17.45, 15 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(trifluoromethyl)pyridin-2-amine;(2-ethenyl-5-fluorophenyl)boronic acid;6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)pyridin-2-amine;N-[6-(2-ethenyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;N-[6-(2-ethyl-5-fluorophenyl)-5-(trifluoromethyl)-2-pyridinyl]-6-fluoropyridine-2-sulfonamide;6-fluoropyridine-2-sulfonyl chloride is sourced from PubChem (CID 165040945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).