5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid

C95H63Cl4F13N10O12 — CID 173114633

IUPAC5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)c(F)c2C)c1.Cc1c(-c2cccc(OC(F)(F)F)c2)cc(F)c(Nc2ncccc2C(=O)O)c1F.Cc1c(-c2ccccc2Cl)cc(F)c(Nc2ncccc2C(=O)O)c1F.O=C(O)c1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2)cc1F.O=C(O)c1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2Cl)cc1F
InChIInChI=1S/C20H13F5N2O3.C20H16F2N2O3.C19H13ClF2N2O2.C18H10Cl2F2N2O2.C18H11ClF2N2O2/c1-10-14(11-4-2-5-12(8-11)30-20(23,24)25)9-15(21)17(16(10)22)27-18-13(19(28)29)6-3-7-26-18;1-11-15(12-5-3-6-13(9-12)27-2)10-16(21)18(17(11)22)24-19-14(20(25)26)7-4-8-23-19;1-10-13(11-5-2-3-7-14(11)20)9-15(21)17(16(10)22)24-18-12(19(25)26)6-4-8-23-18;19-10-7-12(18(25)26)17(23-8-10)24-16-14(21)5-9(6-15(16)22)11-3-1-2-4-13(11)20;19-12-8-13(18(24)25)17(22-9-12)23-16-14(20)6-11(7-15(16)21)10-4-2-1-3-5-10/h2-9H,1H3,(H,26,27)(H,28,29);3-10H,1-2H3,(H,23,24)(H,25,26);2-9H,1H3,(H,23,24)(H,25,26);1-8H,(H,23,24)(H,25,26);1-9H,(H,22,23)(H,24,25)
InChIKeyKVCRXNFCKUZNAL-UHFFFAOYSA-N
MW1925.39 g/mol
LogP26.79
Rot. Bonds22

About 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid

5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid (PubChem CID 173114633) has the molecular formula C95H63Cl4F13N10O12 and a molecular weight of 1925.39 g/mol. Its IUPAC name is 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid
PubChem CID173114633
Molecular FormulaC95H63Cl4F13N10O12
Molecular Weight1925.39 g/mol
Exact Mass1922.32
IUPAC Name5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)c(F)c2C)c1.Cc1c(-c2cccc(OC(F)(F)F)c2)cc(F)c(Nc2ncccc2C(=O)O)c1F.Cc1c(-c2ccccc2Cl)cc(F)c(Nc2ncccc2C(=O)O)c1F.O=C(O)c1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2)cc1F.O=C(O)c1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2Cl)cc1F
InChIInChI=1S/C20H13F5N2O3.C20H16F2N2O3.C19H13ClF2N2O2.C18H10Cl2F2N2O2.C18H11ClF2N2O2/c1-10-14(11-4-2-5-12(8-11)30-20(23,24)25)9-15(21)17(16(10)22)27-18-13(19(28)29)6-3-7-26-18;1-11-15(12-5-3-6-13(9-12)27-2)10-16(21)18(17(11)22)24-19-14(20(25)26)7-4-8-23-19;1-10-13(11-5-2-3-7-14(11)20)9-15(21)17(16(10)22)24-18-12(19(25)26)6-4-8-23-18;19-10-7-12(18(25)26)17(23-8-10)24-16-14(21)5-9(6-15(16)22)11-3-1-2-4-13(11)20;19-12-8-13(18(24)25)17(22-9-12)23-16-14(20)6-11(7-15(16)21)10-4-2-1-3-5-10/h2-9H,1H3,(H,26,27)(H,28,29);3-10H,1-2H3,(H,23,24)(H,25,26);2-9H,1H3,(H,23,24)(H,25,26);1-8H,(H,23,24)(H,25,26);1-9H,(H,22,23)(H,24,25)
InChIKeyKVCRXNFCKUZNAL-UHFFFAOYSA-N
XLogP26.79
TPSA329.56 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001925.39
LogP ≤ 526.79
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Analyze 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid (CID 173114633) is 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid is COc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)c(F)c2C)c1.Cc1c(-c2cccc(OC(F)(F)F)c2)cc(F)c(Nc2ncccc2C(=O)O)c1F.Cc1c(-c2ccccc2Cl)cc(F)c(Nc2ncccc2C(=O)O)c1F.O=C(O)c1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2)cc1F.O=C(O)c1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2Cl)cc1F.
What is the InChIKey of 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid?
The InChIKey is KVCRXNFCKUZNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N2O3.C20H16F2N2O3.C19H13ClF2N2O2.C18H10Cl2F2N2O2.C18H11ClF2N2O2/c1-10-14(11-4-2-5-12(8-11)30-20(23,24)25)9-15(21)17(16(10)22)27-18-13(19(28)29)6-3-7-26-18;1-11-15(12-5-3-6-13(9-12)27-2)10-16(21)18(17(11)22)24-19-14(20(25)26)7-4-8-23-19;1-10-13(11-5-2-3-7-14(11)20)9-15(21)17(16(10)22)24-18-12(19(25)26)6-4-8-23-18;19-10-7-12(18(25)26)17(23-8-10)24-16-14(21)5-9(6-15(16)22)11-3-1-2-4-13(11)20;19-12-8-13(18(24)25)17(22-9-12)23-16-14(20)6-11(7-15(16)21)10-4-2-1-3-5-10/h2-9H,1H3,(H,26,27)(H,28,29);3-10H,1-2H3,(H,23,24)(H,25,26);2-9H,1H3,(H,23,24)(H,25,26);1-8H,(H,23,24)(H,25,26);1-9H,(H,22,23)(H,24,25).
What are the key properties of 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid?
5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid has a molecular weight of 1925.39 g/mol, XLogP of 26.79, 22 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(2-chlorophenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid;5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoro-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-4-(3-methoxyphenyl)-3-methylanilino]pyridine-3-carboxylic acid;2-[2,6-difluoro-3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 173114633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).