5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoroanilino]-5-cyclopropylpyridine-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

C98H68Cl3F13N10O12 — CID 173114744

IUPAC5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoroanilino]-5-cyclopropylpyridine-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(C2CC2)cnc1Nc1c(F)cc(-c2ccccc2Cl)cc1F.O=C(O)c1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2)cc1F
InChIInChI=1S/C21H15ClF2N2O2.C20H13F5N2O3.C20H16F2N2O3.C19H13ClF2N2O2.C18H11ClF2N2O2/c22-16-4-2-1-3-14(16)12-8-17(23)19(18(24)9-12)26-20-15(21(27)28)7-13(10-25-20)11-5-6-11;1-10-14(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;19-12-8-13(18(24)25)17(22-9-12)23-16-14(20)6-11(7-15(16)21)10-4-2-1-3-5-10/h1-4,7-11H,5-6H2,(H,25,26)(H,27,28);2-9H,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);1-9H,(H,22,23)(H,24,25)
InChIKeyWKUIRVBSOVRICR-UHFFFAOYSA-N
MW1931.01 g/mol
LogP27.01
Rot. Bonds23

About 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoroanilino]-5-cyclopropylpyridine-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-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoroanilino]-5-cyclopropylpyridine-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 173114744) has the molecular formula C98H68Cl3F13N10O12 and a molecular weight of 1931.01 g/mol. Its IUPAC name is 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoroanilino]-5-cyclopropylpyridine-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-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoroanilino]-5-cyclopropylpyridine-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 CID173114744
Molecular FormulaC98H68Cl3F13N10O12
Molecular Weight1931.01 g/mol
Exact Mass1928.39
IUPAC Name5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoroanilino]-5-cyclopropylpyridine-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(C2CC2)cnc1Nc1c(F)cc(-c2ccccc2Cl)cc1F.O=C(O)c1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2)cc1F
InChIInChI=1S/C21H15ClF2N2O2.C20H13F5N2O3.C20H16F2N2O3.C19H13ClF2N2O2.C18H11ClF2N2O2/c22-16-4-2-1-3-14(16)12-8-17(23)19(18(24)9-12)26-20-15(21(27)28)7-13(10-25-20)11-5-6-11;1-10-14(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;19-12-8-13(18(24)25)17(22-9-12)23-16-14(20)6-11(7-15(16)21)10-4-2-1-3-5-10/h1-4,7-11H,5-6H2,(H,25,26)(H,27,28);2-9H,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);1-9H,(H,22,23)(H,24,25)
InChIKeyWKUIRVBSOVRICR-UHFFFAOYSA-N
XLogP27.01
TPSA329.56 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001931.01
LogP ≤ 527.01
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Analyze 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoroanilino]-5-cyclopropylpyridine-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 68825696
CID 68825696
CID 68825719
CID 68825719
CID 87588345
CID 87588345
CID 87589292
CID 87589292
CID 87589301
CID 87589301
CID 91168433
CID 91168433
CID 91265712
CID 91265712
CID 157114780
CID 157114780
CID 157470403
CID 157470403
CID 157604987
CID 157604987
CID 157739745
CID 157739745
CID 158349458
CID 158349458

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoroanilino]-5-cyclopropylpyridine-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-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoroanilino]-5-cyclopropylpyridine-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 173114744) is 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoroanilino]-5-cyclopropylpyridine-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-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoroanilino]-5-cyclopropylpyridine-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-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoroanilino]-5-cyclopropylpyridine-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(C2CC2)cnc1Nc1c(F)cc(-c2ccccc2Cl)cc1F.O=C(O)c1cc(Cl)cnc1Nc1c(F)cc(-c2ccccc2)cc1F.
What is the InChIKey of 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoroanilino]-5-cyclopropylpyridine-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 WKUIRVBSOVRICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N2O2.C20H13F5N2O3.C20H16F2N2O3.C19H13ClF2N2O2.C18H11ClF2N2O2/c22-16-4-2-1-3-14(16)12-8-17(23)19(18(24)9-12)26-20-15(21(27)28)7-13(10-25-20)11-5-6-11;1-10-14(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;19-12-8-13(18(24)25)17(22-9-12)23-16-14(20)6-11(7-15(16)21)10-4-2-1-3-5-10/h1-4,7-11H,5-6H2,(H,25,26)(H,27,28);2-9H,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);1-9H,(H,22,23)(H,24,25).
What are the key properties of 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoroanilino]-5-cyclopropylpyridine-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-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoroanilino]-5-cyclopropylpyridine-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 1931.01 g/mol, XLogP of 27.01, 23 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,6-difluoro-4-phenylanilino)pyridine-3-carboxylic acid;2-[4-(2-chlorophenyl)-2,6-difluoroanilino]-5-cyclopropylpyridine-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 173114744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).