4-amino-6-(1,3-benzodioxol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-methylphenyl)pyridine-2-carboxylic acid;3-chloro-6-(4-chloro-2-methoxyphenyl)-2-(1-methoxyethenyl)pyridin-4-amine

C66H49Cl8F3N10O12 — CID 159418817

IUPAC4-amino-6-(1,3-benzodioxol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-methylphenyl)pyridine-2-carboxylic acid;3-chloro-6-(4-chloro-2-methoxyphenyl)-2-(1-methoxyethenyl)pyridin-4-amine
SMILESC=C(OC)c1nc(-c2ccc(Cl)cc2OC)cc(N)c1Cl.Cc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F.Cc1ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)cc1.Nc1c(F)c(-c2ccc3c(c2)OCO3)nc(C(=O)O)c1Cl.Nc1cc(-c2ccc(Cl)cc2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C15H14Cl2N2O2.C13H9Cl2FN2O2.C13H8ClFN2O4.C13H11ClN2O2.C12H7Cl2FN2O2/c1-8(20-2)15-14(17)11(18)7-12(19-15)10-5-4-9(16)6-13(10)21-3;1-5-7(14)3-2-6(11(5)16)9-4-8(17)10(15)12(18-9)13(19)20;14-8-10(16)9(15)11(17-12(8)13(18)19)5-1-2-6-7(3-5)21-4-20-6;1-7-2-4-8(5-3-7)10-6-9(15)11(14)12(16-10)13(17)18;13-5-1-2-6(7(15)3-5)9-4-8(16)10(14)11(17-9)12(18)19/h4-7H,1H2,2-3H3,(H2,18,19);2-4H,1H3,(H2,17,18)(H,19,20);1-3H,4H2,(H2,16,17)(H,18,19);2-6H,1H3,(H2,15,16)(H,17,18);1-4H,(H2,16,17)(H,18,19)
InChIKeyLPMSVRHKLAWXEE-UHFFFAOYSA-N
MW1514.79 g/mol
LogP17.06
Rot. Bonds12

About 4-amino-6-(1,3-benzodioxol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-methylphenyl)pyridine-2-carboxylic acid;3-chloro-6-(4-chloro-2-methoxyphenyl)-2-(1-methoxyethenyl)pyridin-4-amine

4-amino-6-(1,3-benzodioxol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-methylphenyl)pyridine-2-carboxylic acid;3-chloro-6-(4-chloro-2-methoxyphenyl)-2-(1-methoxyethenyl)pyridin-4-amine (PubChem CID 159418817) has the molecular formula C66H49Cl8F3N10O12 and a molecular weight of 1514.79 g/mol. Its IUPAC name is 4-amino-6-(1,3-benzodioxol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-methylphenyl)pyridine-2-carboxylic acid;3-chloro-6-(4-chloro-2-methoxyphenyl)-2-(1-methoxyethenyl)pyridin-4-amine.

Molecular Properties

Compound Name4-amino-6-(1,3-benzodioxol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-methylphenyl)pyridine-2-carboxylic acid;3-chloro-6-(4-chloro-2-methoxyphenyl)-2-(1-methoxyethenyl)pyridin-4-amine
PubChem CID159418817
Molecular FormulaC66H49Cl8F3N10O12
Molecular Weight1514.79 g/mol
Exact Mass1510.10
IUPAC Name4-amino-6-(1,3-benzodioxol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-methylphenyl)pyridine-2-carboxylic acid;3-chloro-6-(4-chloro-2-methoxyphenyl)-2-(1-methoxyethenyl)pyridin-4-amine
SMILESC=C(OC)c1nc(-c2ccc(Cl)cc2OC)cc(N)c1Cl.Cc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F.Cc1ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)cc1.Nc1c(F)c(-c2ccc3c(c2)OCO3)nc(C(=O)O)c1Cl.Nc1cc(-c2ccc(Cl)cc2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C15H14Cl2N2O2.C13H9Cl2FN2O2.C13H8ClFN2O4.C13H11ClN2O2.C12H7Cl2FN2O2/c1-8(20-2)15-14(17)11(18)7-12(19-15)10-5-4-9(16)6-13(10)21-3;1-5-7(14)3-2-6(11(5)16)9-4-8(17)10(15)12(18-9)13(19)20;14-8-10(16)9(15)11(17-12(8)13(18)19)5-1-2-6-7(3-5)21-4-20-6;1-7-2-4-8(5-3-7)10-6-9(15)11(14)12(16-10)13(17)18;13-5-1-2-6(7(15)3-5)9-4-8(16)10(14)11(17-9)12(18)19/h4-7H,1H2,2-3H3,(H2,18,19);2-4H,1H3,(H2,17,18)(H,19,20);1-3H,4H2,(H2,16,17)(H,18,19);2-6H,1H3,(H2,15,16)(H,17,18);1-4H,(H2,16,17)(H,18,19)
InChIKeyLPMSVRHKLAWXEE-UHFFFAOYSA-N
XLogP17.06
TPSA380.67 Ų
H-Bond Donors9
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001514.79
LogP ≤ 517.06
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 4-amino-6-(1,3-benzodioxol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-methylphenyl)pyridine-2-carboxylic acid;3-chloro-6-(4-chloro-2-methoxyphenyl)-2-(1-methoxyethenyl)pyridin-4-amine with MolForge

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Related Compounds

Methyl 4-amino-6-(1,3-benzodioxol-5-yl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2,5-difluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[2,3-difluoro-4-(trifluoromethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 157994472
Methyl 4-amino-6-(1,3-benzodioxol-5-yl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-6-(4-fluorophenyl)-3-methoxypyridine-2-carboxylate;methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 159149528
4-Amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)-5-fluoropyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-3,6-difluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methoxyphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(4-chloro-3-fluoro-2-methylphenyl)-5-fluoropyridine-2-carboxylate;methyl 4-amino-3-chloro-6-(3,4-difluoro-2-methylphenyl)pyridine-2-carboxylate;methyl 4-amino-3-chloro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;methyl 4-amino-3,5-dichloro-6-(4-chloro-3-fluoro-2-methylphenyl)pyridine-2-carboxylate
CID 161184316
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
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 4-amino-6-(1,3-benzodioxol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-methylphenyl)pyridine-2-carboxylic acid;3-chloro-6-(4-chloro-2-methoxyphenyl)-2-(1-methoxyethenyl)pyridin-4-amine?
The IUPAC name of 4-amino-6-(1,3-benzodioxol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-methylphenyl)pyridine-2-carboxylic acid;3-chloro-6-(4-chloro-2-methoxyphenyl)-2-(1-methoxyethenyl)pyridin-4-amine (CID 159418817) is 4-amino-6-(1,3-benzodioxol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-methylphenyl)pyridine-2-carboxylic acid;3-chloro-6-(4-chloro-2-methoxyphenyl)-2-(1-methoxyethenyl)pyridin-4-amine.
What is the SMILES notation for 4-amino-6-(1,3-benzodioxol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-methylphenyl)pyridine-2-carboxylic acid;3-chloro-6-(4-chloro-2-methoxyphenyl)-2-(1-methoxyethenyl)pyridin-4-amine?
The canonical SMILES for 4-amino-6-(1,3-benzodioxol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-methylphenyl)pyridine-2-carboxylic acid;3-chloro-6-(4-chloro-2-methoxyphenyl)-2-(1-methoxyethenyl)pyridin-4-amine is C=C(OC)c1nc(-c2ccc(Cl)cc2OC)cc(N)c1Cl.Cc1c(Cl)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F.Cc1ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)cc1.Nc1c(F)c(-c2ccc3c(c2)OCO3)nc(C(=O)O)c1Cl.Nc1cc(-c2ccc(Cl)cc2F)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-6-(1,3-benzodioxol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-methylphenyl)pyridine-2-carboxylic acid;3-chloro-6-(4-chloro-2-methoxyphenyl)-2-(1-methoxyethenyl)pyridin-4-amine?
The InChIKey is LPMSVRHKLAWXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2.C13H9Cl2FN2O2.C13H8ClFN2O4.C13H11ClN2O2.C12H7Cl2FN2O2/c1-8(20-2)15-14(17)11(18)7-12(19-15)10-5-4-9(16)6-13(10)21-3;1-5-7(14)3-2-6(11(5)16)9-4-8(17)10(15)12(18-9)13(19)20;14-8-10(16)9(15)11(17-12(8)13(18)19)5-1-2-6-7(3-5)21-4-20-6;1-7-2-4-8(5-3-7)10-6-9(15)11(14)12(16-10)13(17)18;13-5-1-2-6(7(15)3-5)9-4-8(16)10(14)11(17-9)12(18)19/h4-7H,1H2,2-3H3,(H2,18,19);2-4H,1H3,(H2,17,18)(H,19,20);1-3H,4H2,(H2,16,17)(H,18,19);2-6H,1H3,(H2,15,16)(H,17,18);1-4H,(H2,16,17)(H,18,19).
What are the key properties of 4-amino-6-(1,3-benzodioxol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-methylphenyl)pyridine-2-carboxylic acid;3-chloro-6-(4-chloro-2-methoxyphenyl)-2-(1-methoxyethenyl)pyridin-4-amine?
4-amino-6-(1,3-benzodioxol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-methylphenyl)pyridine-2-carboxylic acid;3-chloro-6-(4-chloro-2-methoxyphenyl)-2-(1-methoxyethenyl)pyridin-4-amine has a molecular weight of 1514.79 g/mol, XLogP of 17.06, 12 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(1,3-benzodioxol-5-yl)-3-chloro-5-fluoropyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylphenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-chloro-2-fluorophenyl)pyridine-2-carboxylic acid;4-amino-3-chloro-6-(4-methylphenyl)pyridine-2-carboxylic acid;3-chloro-6-(4-chloro-2-methoxyphenyl)-2-(1-methoxyethenyl)pyridin-4-amine is sourced from PubChem (CID 159418817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).