4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylate

C97H73Cl13F10N14O16 — CID 159554234

IUPAC4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylate
SMILESCCc1c(-c2cc(N)c(Cl)c(C(=O)O)n2)ccc(Cl)c1F.CCc1c(-c2cc(N)c(Cl)c(C(=O)OC)n2)ccc(Cl)c1F.COC(=O)c1nc(-c2ccc(Cl)c(F)c2C(F)F)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2OC)cc(N)c1Cl.COc1c(-c2cc(N)c(Cl)c(C(=O)O)n2)ccc(Cl)c1F.Cc1c(-c2cc(N)c(Cl)c(C(=O)O)n2)ccc(Cl)c1F.Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)c(C)c1F
InChIInChI=1S/C15H13Cl2FN2O2.C14H9Cl2F3N2O2.C14H11Cl2FN2O3.C14H11Cl2FN2O2.C14H11ClF2N2O2.C13H9Cl2FN2O3.C13H9Cl2FN2O2/c1-3-7-8(4-5-9(16)13(7)18)11-6-10(19)12(17)14(20-11)15(21)22-2;1-23-14(22)12-10(16)7(20)4-8(21-12)5-2-3-6(15)11(17)9(5)13(18)19;1-21-13-6(3-4-7(15)11(13)17)9-5-8(18)10(16)12(19-9)14(20)22-2;1-2-6-7(3-4-8(15)12(6)17)10-5-9(18)11(16)13(19-10)14(20)21;1-5-3-4-7(6(2)9(5)16)12-10(17)11(18)8(15)13(19-12)14(20)21;1-21-12-5(2-3-6(14)10(12)16)8-4-7(17)9(15)11(18-8)13(19)20;1-5-6(2-3-7(14)11(5)16)9-4-8(17)10(15)12(18-9)13(19)20/h4-6H,3H2,1-2H3,(H2,19,20);2-4,13H,1H3,(H2,20,21);3-5H,1-2H3,(H2,18,19);3-5H,2H2,1H3,(H2,18,19)(H,20,21);3-4H,1-2H3,(H2,18,19)(H,20,21);2-4H,1H3,(H2,17,18)(H,19,20);2-4H,1H3,(H2,17,18)(H,19,20)
InChIKeyMFUDGFIQDOKZJN-UHFFFAOYSA-N
MW2341.60 g/mol
LogP27.08
Rot. Bonds19

About 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylate

4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylate (PubChem CID 159554234) has the molecular formula C97H73Cl13F10N14O16 and a molecular weight of 2341.60 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Name4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylate
PubChem CID159554234
Molecular FormulaC97H73Cl13F10N14O16
Molecular Weight2341.60 g/mol
Exact Mass2334.11
IUPAC Name4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylate
SMILESCCc1c(-c2cc(N)c(Cl)c(C(=O)O)n2)ccc(Cl)c1F.CCc1c(-c2cc(N)c(Cl)c(C(=O)OC)n2)ccc(Cl)c1F.COC(=O)c1nc(-c2ccc(Cl)c(F)c2C(F)F)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2OC)cc(N)c1Cl.COc1c(-c2cc(N)c(Cl)c(C(=O)O)n2)ccc(Cl)c1F.Cc1c(-c2cc(N)c(Cl)c(C(=O)O)n2)ccc(Cl)c1F.Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)c(C)c1F
InChIInChI=1S/C15H13Cl2FN2O2.C14H9Cl2F3N2O2.C14H11Cl2FN2O3.C14H11Cl2FN2O2.C14H11ClF2N2O2.C13H9Cl2FN2O3.C13H9Cl2FN2O2/c1-3-7-8(4-5-9(16)13(7)18)11-6-10(19)12(17)14(20-11)15(21)22-2;1-23-14(22)12-10(16)7(20)4-8(21-12)5-2-3-6(15)11(17)9(5)13(18)19;1-21-13-6(3-4-7(15)11(13)17)9-5-8(18)10(16)12(19-9)14(20)22-2;1-2-6-7(3-4-8(15)12(6)17)10-5-9(18)11(16)13(19-10)14(20)21;1-5-3-4-7(6(2)9(5)16)12-10(17)11(18)8(15)13(19-12)14(20)21;1-21-12-5(2-3-6(14)10(12)16)8-4-7(17)9(15)11(18-8)13(19)20;1-5-6(2-3-7(14)11(5)16)9-4-8(17)10(15)12(18-9)13(19)20/h4-6H,3H2,1-2H3,(H2,19,20);2-4,13H,1H3,(H2,20,21);3-5H,1-2H3,(H2,18,19);3-5H,2H2,1H3,(H2,18,19)(H,20,21);3-4H,1-2H3,(H2,18,19)(H,20,21);2-4H,1H3,(H2,17,18)(H,19,20);2-4H,1H3,(H2,17,18)(H,19,20)
InChIKeyMFUDGFIQDOKZJN-UHFFFAOYSA-N
XLogP27.08
TPSA518.93 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002341.60
LogP ≤ 527.08
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylate?
The IUPAC name of 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylate (CID 159554234) is 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylate.
What is the SMILES notation for 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylate?
The canonical SMILES for 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylate is CCc1c(-c2cc(N)c(Cl)c(C(=O)O)n2)ccc(Cl)c1F.CCc1c(-c2cc(N)c(Cl)c(C(=O)OC)n2)ccc(Cl)c1F.COC(=O)c1nc(-c2ccc(Cl)c(F)c2C(F)F)cc(N)c1Cl.COC(=O)c1nc(-c2ccc(Cl)c(F)c2OC)cc(N)c1Cl.COc1c(-c2cc(N)c(Cl)c(C(=O)O)n2)ccc(Cl)c1F.Cc1c(-c2cc(N)c(Cl)c(C(=O)O)n2)ccc(Cl)c1F.Cc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2F)c(C)c1F.
What is the InChIKey of 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylate?
The InChIKey is MFUDGFIQDOKZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O2.C14H9Cl2F3N2O2.C14H11Cl2FN2O3.C14H11Cl2FN2O2.C14H11ClF2N2O2.C13H9Cl2FN2O3.C13H9Cl2FN2O2/c1-3-7-8(4-5-9(16)13(7)18)11-6-10(19)12(17)14(20-11)15(21)22-2;1-23-14(22)12-10(16)7(20)4-8(21-12)5-2-3-6(15)11(17)9(5)13(18)19;1-21-13-6(3-4-7(15)11(13)17)9-5-8(18)10(16)12(19-9)14(20)22-2;1-2-6-7(3-4-8(15)12(6)17)10-5-9(18)11(16)13(19-10)14(20)21;1-5-3-4-7(6(2)9(5)16)12-10(17)11(18)8(15)13(19-12)14(20)21;1-21-12-5(2-3-6(14)10(12)16)8-4-7(17)9(15)11(18-8)13(19)20;1-5-6(2-3-7(14)11(5)16)9-4-8(17)10(15)12(18-9)13(19)20/h4-6H,3H2,1-2H3,(H2,19,20);2-4,13H,1H3,(H2,20,21);3-5H,1-2H3,(H2,18,19);3-5H,2H2,1H3,(H2,18,19)(H,20,21);3-4H,1-2H3,(H2,18,19)(H,20,21);2-4H,1H3,(H2,17,18)(H,19,20);2-4H,1H3,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylate?
4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylate has a molecular weight of 2341.60 g/mol, XLogP of 27.08, 19 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-(3-fluoro-2,4-dimethylphenyl)pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 159554234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).