2-(4-chloro-3-fluorophenyl)-3-fluoro-5-iodo-6-(1-methoxyethenyl)pyridin-4-amine;methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-iodopyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-iodopyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate

C68H52Cl3F8I3N10O9 — CID 158264997

IUPAC2-(4-chloro-3-fluorophenyl)-3-fluoro-5-iodo-6-(1-methoxyethenyl)pyridin-4-amine;methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-iodopyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-iodopyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate
SMILESC=C(OC)c1nc(-c2ccc(Cl)c(F)c2)c(F)c(N)c1I.COC(=O)c1cc(N)c(F)c(-c2ccc(C)c(F)c2)n1.COC(=O)c1cc(N)c(F)c(-c2ccc(Cl)cc2)n1.COC(=O)c1nc(-c2ccc(C)c(F)c2)c(F)c(N)c1I.COC(=O)c1nc(-c2ccc(Cl)cc2)c(F)c(N)c1I
InChIInChI=1S/C14H10ClF2IN2O.C14H11F2IN2O2.C14H12F2N2O2.C13H9ClFIN2O2.C13H10ClFN2O2/c1-6(21-2)13-11(18)12(19)10(17)14(20-13)7-3-4-8(15)9(16)5-7;1-6-3-4-7(5-8(6)15)12-9(16)11(18)10(17)13(19-12)14(20)21-2;1-7-3-4-8(5-9(7)15)13-12(16)10(17)6-11(18-13)14(19)20-2;1-20-13(19)12-9(16)10(17)8(15)11(18-12)6-2-4-7(14)5-3-6;1-19-13(18)10-6-9(16)11(15)12(17-10)7-2-4-8(14)5-3-7/h3-5H,1H2,2H3,(H2,19,20);3-5H,1-2H3,(H2,18,19);3-6H,1-2H3,(H2,17,18);2-5H,1H3,(H2,17,18);2-6H,1H3,(H2,16,17)
InChIKeyGIIDZFIAHBKBFR-UHFFFAOYSA-N
MW1792.28 g/mol
LogP16.92
Rot. Bonds11

About 2-(4-chloro-3-fluorophenyl)-3-fluoro-5-iodo-6-(1-methoxyethenyl)pyridin-4-amine;methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-iodopyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-iodopyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate

2-(4-chloro-3-fluorophenyl)-3-fluoro-5-iodo-6-(1-methoxyethenyl)pyridin-4-amine;methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-iodopyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-iodopyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate (PubChem CID 158264997) has the molecular formula C68H52Cl3F8I3N10O9 and a molecular weight of 1792.28 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-3-fluoro-5-iodo-6-(1-methoxyethenyl)pyridin-4-amine;methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-iodopyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-iodopyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-3-fluoro-5-iodo-6-(1-methoxyethenyl)pyridin-4-amine;methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-iodopyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-iodopyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate
PubChem CID158264997
Molecular FormulaC68H52Cl3F8I3N10O9
Molecular Weight1792.28 g/mol
Exact Mass1790.00
IUPAC Name2-(4-chloro-3-fluorophenyl)-3-fluoro-5-iodo-6-(1-methoxyethenyl)pyridin-4-amine;methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-iodopyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-iodopyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate
SMILESC=C(OC)c1nc(-c2ccc(Cl)c(F)c2)c(F)c(N)c1I.COC(=O)c1cc(N)c(F)c(-c2ccc(C)c(F)c2)n1.COC(=O)c1cc(N)c(F)c(-c2ccc(Cl)cc2)n1.COC(=O)c1nc(-c2ccc(C)c(F)c2)c(F)c(N)c1I.COC(=O)c1nc(-c2ccc(Cl)cc2)c(F)c(N)c1I
InChIInChI=1S/C14H10ClF2IN2O.C14H11F2IN2O2.C14H12F2N2O2.C13H9ClFIN2O2.C13H10ClFN2O2/c1-6(21-2)13-11(18)12(19)10(17)14(20-13)7-3-4-8(15)9(16)5-7;1-6-3-4-7(5-8(6)15)12-9(16)11(18)10(17)13(19-12)14(20)21-2;1-7-3-4-8(5-9(7)15)13-12(16)10(17)6-11(18-13)14(19)20-2;1-20-13(19)12-9(16)10(17)8(15)11(18-12)6-2-4-7(14)5-3-6;1-19-13(18)10-6-9(16)11(15)12(17-10)7-2-4-8(14)5-3-7/h3-5H,1H2,2H3,(H2,19,20);3-5H,1-2H3,(H2,18,19);3-6H,1-2H3,(H2,17,18);2-5H,1H3,(H2,17,18);2-6H,1H3,(H2,16,17)
InChIKeyGIIDZFIAHBKBFR-UHFFFAOYSA-N
XLogP16.92
TPSA308.98 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001792.28
LogP ≤ 516.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(4-chloro-3-fluorophenyl)-3-fluoro-5-iodo-6-(1-methoxyethenyl)pyridin-4-amine;methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-iodopyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-iodopyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate with MolForge

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Related Compounds

4-Amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-6-(4-bromo-2,3,6-trifluorophenyl)-3-chloropyridine-2-carboxylic acid;4-amino-3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-cyano-2,3-difluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-iodophenyl)pyridine-2-carboxylate
CID 157418068
4-Amino-3-chloro-6-[4-chloro-2-(difluoromethyl)-3-fluorophenyl]pyridine-2-carboxylic acid;4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-2-ethynyl-3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[4-chloro-3-fluoro-2-(fluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 160915252
4-Amino-6-(4-chloro-2,3-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-chloro-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;4-amino-5-fluoro-6-(4-fluorophenyl)-3-methoxypyridine-2-carboxylic acid;4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 161437147
6-(4-Chlorophenyl)-4,5-difluoropyridine-2-carbonyl fluoride;4,5-dichloro-6-(4-chlorophenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-phenylpyridine-2-carbonyl chloride;4,5-difluoro-6-phenylpyridine-2-carbonyl fluoride;fluoromethane;propan-2-yl 6-(4-chlorophenyl)-4,5-difluoropyridine-2-carboxylate;propan-2-yl 4,5-difluoro-6-phenylpyridine-2-carboxylate
CID 157831102
4,5-Dichloro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-methylphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-phenylpyridine-2-carbonyl chloride;4,5-difluoro-6-[4-(hydroxymethyl)phenyl]pyridine-2-carbonyl fluoride;4,5-difluoro-6-(4-methylphenyl)pyridine-2-carbonyl fluoride;4,5-difluoro-6-phenylpyridine-2-carbonyl fluoride;fluoromethane;propan-2-yl 4,5-difluoro-6-(4-methylphenyl)pyridine-2-carboxylate;propan-2-yl 4,5-difluoro-6-phenylpyridine-2-carboxylate
CID 159827780
4-Amino-6-(2,3-difluoro-4-iodophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid;methyl 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-ethynylphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-formylphenyl)-3-methoxypyridine-2-carboxylate
CID 160010650
Methyl 4-amino-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate;methyl 6-(4-chlorophenyl)-5-fluoro-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]pyridine-2-carboxylate
CID 160481020
1-[4-Amino-3-chloro-6-(4-chloro-3-fluorophenyl)-5-fluoro-2-pyridinyl]ethanone;4-amino-6-(4-chloro-3-fluorophenyl)-3-ethenyl-5-fluoropyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3-fluorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-3-fluorophenyl)-3-ethenyl-5-fluoropyridine-2-carboxylate
CID 161752078
4-Amino-3-chloro-6-[4-(difluoromethyl)-2,5-difluorophenyl]-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-[4-(difluoromethoxy)-2,5-difluorophenyl]pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(2,5-difluoro-4-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-(3-fluorophenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-5-fluoro-6-phenylpyridine-2-carboxylate
CID 162067951

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-3-fluoro-5-iodo-6-(1-methoxyethenyl)pyridin-4-amine;methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-iodopyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-iodopyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-3-fluoro-5-iodo-6-(1-methoxyethenyl)pyridin-4-amine;methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-iodopyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-iodopyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate (CID 158264997) is 2-(4-chloro-3-fluorophenyl)-3-fluoro-5-iodo-6-(1-methoxyethenyl)pyridin-4-amine;methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-iodopyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-iodopyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-3-fluoro-5-iodo-6-(1-methoxyethenyl)pyridin-4-amine;methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-iodopyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-iodopyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-3-fluoro-5-iodo-6-(1-methoxyethenyl)pyridin-4-amine;methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-iodopyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-iodopyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate is C=C(OC)c1nc(-c2ccc(Cl)c(F)c2)c(F)c(N)c1I.COC(=O)c1cc(N)c(F)c(-c2ccc(C)c(F)c2)n1.COC(=O)c1cc(N)c(F)c(-c2ccc(Cl)cc2)n1.COC(=O)c1nc(-c2ccc(C)c(F)c2)c(F)c(N)c1I.COC(=O)c1nc(-c2ccc(Cl)cc2)c(F)c(N)c1I.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-3-fluoro-5-iodo-6-(1-methoxyethenyl)pyridin-4-amine;methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-iodopyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-iodopyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate?
The InChIKey is GIIDZFIAHBKBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2IN2O.C14H11F2IN2O2.C14H12F2N2O2.C13H9ClFIN2O2.C13H10ClFN2O2/c1-6(21-2)13-11(18)12(19)10(17)14(20-13)7-3-4-8(15)9(16)5-7;1-6-3-4-7(5-8(6)15)12-9(16)11(18)10(17)13(19-12)14(20)21-2;1-7-3-4-8(5-9(7)15)13-12(16)10(17)6-11(18-13)14(19)20-2;1-20-13(19)12-9(16)10(17)8(15)11(18-12)6-2-4-7(14)5-3-6;1-19-13(18)10-6-9(16)11(15)12(17-10)7-2-4-8(14)5-3-7/h3-5H,1H2,2H3,(H2,19,20);3-5H,1-2H3,(H2,18,19);3-6H,1-2H3,(H2,17,18);2-5H,1H3,(H2,17,18);2-6H,1H3,(H2,16,17).
What are the key properties of 2-(4-chloro-3-fluorophenyl)-3-fluoro-5-iodo-6-(1-methoxyethenyl)pyridin-4-amine;methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-iodopyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-iodopyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate?
2-(4-chloro-3-fluorophenyl)-3-fluoro-5-iodo-6-(1-methoxyethenyl)pyridin-4-amine;methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-iodopyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-iodopyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate has a molecular weight of 1792.28 g/mol, XLogP of 16.92, 11 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-3-fluoro-5-iodo-6-(1-methoxyethenyl)pyridin-4-amine;methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-iodopyridine-2-carboxylate;methyl 4-amino-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)-3-iodopyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 158264997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).