5-chloro-2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,5-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid;2-[2,3,6-trifluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid

C106H79ClF14N10O15 — CID 173114726

IUPAC5-chloro-2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,5-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid;2-[2,3,6-trifluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2cc(F)c(Nc3ncc(C4CC4)cc3C(=O)O)cc2F)c1.COc1cccc(-c2cc(F)c(Nc3ncc(Cl)cc3C(=O)O)c(F)c2)c1.COc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)c(F)c2F)c1.O=C(O)c1cc(C2CC2)cnc1Nc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F.O=C(O)c1cc(C2CC2)cnc1Nc1c(F)cc(-c2cccc(OC3CC3)c2)cc1F
InChIInChI=1S/C24H20F2N2O3.C22H15F5N2O3.C22H18F2N2O3.C19H13ClF2N2O3.C19H13F3N2O3/c25-20-10-15(14-2-1-3-18(8-14)31-17-6-7-17)11-21(26)22(20)28-23-19(24(29)30)9-16(12-27-23)13-4-5-13;23-17-8-13(12-2-1-3-15(6-12)32-22(25,26)27)9-18(24)19(17)29-20-16(21(30)31)7-14(10-28-20)11-4-5-11;1-29-15-4-2-3-13(7-15)16-9-19(24)20(10-18(16)23)26-21-17(22(27)28)8-14(11-25-21)12-5-6-12;1-27-13-4-2-3-10(5-13)11-6-15(21)17(16(22)7-11)24-18-14(19(25)26)8-12(20)9-23-18;1-27-11-5-2-4-10(8-11)13-9-14(20)17(16(22)15(13)21)24-18-12(19(25)26)6-3-7-23-18/h1-3,8-13,17H,4-7H2,(H,27,28)(H,29,30);1-3,6-11H,4-5H2,(H,28,29)(H,30,31);2-4,7-12H,5-6H2,1H3,(H,25,26)(H,27,28);2*2-9H,1H3,(H,23,24)(H,25,26)
InChIKeyGZKNOXLQJJYJMI-UHFFFAOYSA-N
MW2034.28 g/mol
LogP27.23
Rot. Bonds29

About 5-chloro-2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,5-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid;2-[2,3,6-trifluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid

5-chloro-2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,5-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid;2-[2,3,6-trifluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid (PubChem CID 173114726) has the molecular formula C106H79ClF14N10O15 and a molecular weight of 2034.28 g/mol. Its IUPAC name is 5-chloro-2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,5-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid;2-[2,3,6-trifluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,5-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid;2-[2,3,6-trifluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
PubChem CID173114726
Molecular FormulaC106H79ClF14N10O15
Molecular Weight2034.28 g/mol
Exact Mass2032.52
IUPAC Name5-chloro-2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,5-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid;2-[2,3,6-trifluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2cc(F)c(Nc3ncc(C4CC4)cc3C(=O)O)cc2F)c1.COc1cccc(-c2cc(F)c(Nc3ncc(Cl)cc3C(=O)O)c(F)c2)c1.COc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)c(F)c2F)c1.O=C(O)c1cc(C2CC2)cnc1Nc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F.O=C(O)c1cc(C2CC2)cnc1Nc1c(F)cc(-c2cccc(OC3CC3)c2)cc1F
InChIInChI=1S/C24H20F2N2O3.C22H15F5N2O3.C22H18F2N2O3.C19H13ClF2N2O3.C19H13F3N2O3/c25-20-10-15(14-2-1-3-18(8-14)31-17-6-7-17)11-21(26)22(20)28-23-19(24(29)30)9-16(12-27-23)13-4-5-13;23-17-8-13(12-2-1-3-15(6-12)32-22(25,26)27)9-18(24)19(17)29-20-16(21(30)31)7-14(10-28-20)11-4-5-11;1-29-15-4-2-3-13(7-15)16-9-19(24)20(10-18(16)23)26-21-17(22(27)28)8-14(11-25-21)12-5-6-12;1-27-13-4-2-3-10(5-13)11-6-15(21)17(16(22)7-11)24-18-14(19(25)26)8-12(20)9-23-18;1-27-11-5-2-4-10(8-11)13-9-14(20)17(16(22)15(13)21)24-18-12(19(25)26)6-3-7-23-18/h1-3,8-13,17H,4-7H2,(H,27,28)(H,29,30);1-3,6-11H,4-5H2,(H,28,29)(H,30,31);2-4,7-12H,5-6H2,1H3,(H,25,26)(H,27,28);2*2-9H,1H3,(H,23,24)(H,25,26)
InChIKeyGZKNOXLQJJYJMI-UHFFFAOYSA-N
XLogP27.23
TPSA357.25 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002034.28
LogP ≤ 527.23
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-chloro-2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,5-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid;2-[2,3,6-trifluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,5-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid;2-[2,3,6-trifluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,5-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid;2-[2,3,6-trifluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid (CID 173114726) is 5-chloro-2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,5-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid;2-[2,3,6-trifluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,5-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid;2-[2,3,6-trifluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,5-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid;2-[2,3,6-trifluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid is COc1cccc(-c2cc(F)c(Nc3ncc(C4CC4)cc3C(=O)O)cc2F)c1.COc1cccc(-c2cc(F)c(Nc3ncc(Cl)cc3C(=O)O)c(F)c2)c1.COc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)c(F)c2F)c1.O=C(O)c1cc(C2CC2)cnc1Nc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F.O=C(O)c1cc(C2CC2)cnc1Nc1c(F)cc(-c2cccc(OC3CC3)c2)cc1F.
What is the InChIKey of 5-chloro-2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,5-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid;2-[2,3,6-trifluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
The InChIKey is GZKNOXLQJJYJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O3.C22H15F5N2O3.C22H18F2N2O3.C19H13ClF2N2O3.C19H13F3N2O3/c25-20-10-15(14-2-1-3-18(8-14)31-17-6-7-17)11-21(26)22(20)28-23-19(24(29)30)9-16(12-27-23)13-4-5-13;23-17-8-13(12-2-1-3-15(6-12)32-22(25,26)27)9-18(24)19(17)29-20-16(21(30)31)7-14(10-28-20)11-4-5-11;1-29-15-4-2-3-13(7-15)16-9-19(24)20(10-18(16)23)26-21-17(22(27)28)8-14(11-25-21)12-5-6-12;1-27-13-4-2-3-10(5-13)11-6-15(21)17(16(22)7-11)24-18-14(19(25)26)8-12(20)9-23-18;1-27-11-5-2-4-10(8-11)13-9-14(20)17(16(22)15(13)21)24-18-12(19(25)26)6-3-7-23-18/h1-3,8-13,17H,4-7H2,(H,27,28)(H,29,30);1-3,6-11H,4-5H2,(H,28,29)(H,30,31);2-4,7-12H,5-6H2,1H3,(H,25,26)(H,27,28);2*2-9H,1H3,(H,23,24)(H,25,26).
What are the key properties of 5-chloro-2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,5-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid;2-[2,3,6-trifluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
5-chloro-2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,5-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid;2-[2,3,6-trifluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid has a molecular weight of 2034.28 g/mol, XLogP of 27.23, 29 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2,6-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,5-difluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;5-cyclopropyl-2-[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid;2-[2,3,6-trifluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 173114726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).