4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylic acid;molecular iodine;propan-2-yl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate;vanadium;hydrobromide

C23H15Br2Cl2F3I2N4O6V — CID 157385553

IUPAC4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylic acid;molecular iodine;propan-2-yl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate;vanadium;hydrobromide
SMILESBr.CC(C)OC(=O)c1nc(F)c(F)c(N2C(=O)c3ccccc3C2=O)c1Cl.II.Nc1c(F)c(Br)nc(C(=O)O)c1Cl.[V]
InChIInChI=1S/C17H11ClF2N2O4.C6H3BrClFN2O2.BrH.I2.V/c1-7(2)26-17(25)12-10(18)13(11(19)14(20)21-12)22-15(23)8-5-3-4-6-9(8)16(22)24;7-5-2(9)3(10)1(8)4(11-5)6(12)13;;1-2;/h3-7H,1-2H3;(H2,10,11)(H,12,13);1H;;
InChIKeyONWDHXSCKXJGCY-UHFFFAOYSA-N
MW1035.85 g/mol
LogP7.64
Rot. Bonds4

About 4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylic acid;molecular iodine;propan-2-yl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate;vanadium;hydrobromide

4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylic acid;molecular iodine;propan-2-yl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate;vanadium;hydrobromide (PubChem CID 157385553) has the molecular formula C23H15Br2Cl2F3I2N4O6V and a molecular weight of 1035.85 g/mol. Its IUPAC name is 4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylic acid;molecular iodine;propan-2-yl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate;vanadium;hydrobromide.

Molecular Properties

Compound Name4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylic acid;molecular iodine;propan-2-yl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate;vanadium;hydrobromide
PubChem CID157385553
Molecular FormulaC23H15Br2Cl2F3I2N4O6V
Molecular Weight1035.85 g/mol
Exact Mass1032.62
IUPAC Name4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylic acid;molecular iodine;propan-2-yl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate;vanadium;hydrobromide
SMILESBr.CC(C)OC(=O)c1nc(F)c(F)c(N2C(=O)c3ccccc3C2=O)c1Cl.II.Nc1c(F)c(Br)nc(C(=O)O)c1Cl.[V]
InChIInChI=1S/C17H11ClF2N2O4.C6H3BrClFN2O2.BrH.I2.V/c1-7(2)26-17(25)12-10(18)13(11(19)14(20)21-12)22-15(23)8-5-3-4-6-9(8)16(22)24;7-5-2(9)3(10)1(8)4(11-5)6(12)13;;1-2;/h3-7H,1-2H3;(H2,10,11)(H,12,13);1H;;
InChIKeyONWDHXSCKXJGCY-UHFFFAOYSA-N
XLogP7.64
TPSA152.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.85
LogP ≤ 57.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylic acid;molecular iodine;propan-2-yl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate;vanadium;hydrobromide with MolForge

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Related Compounds

methyl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate
CID 156858410
propan-2-yl 3-chloro-5,6-difluoro-4-methylpyridine-2-carboxylate
CID 158871285
4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid
CID 78319096
4-amino-6-(4-bromo-2,3-difluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 90440347
propan-2-yl 3-amino-6-bromo-5-fluoropyridine-2-carboxylate
CID 141395884
4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 137484739
cyanomethyl 4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylate
CID 146447150
4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 90440357
propan-2-yl 2-chloro-5-(1,3-dioxoisoindol-2-yl)benzoate
CID 100933018
benzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate
CID 123351569
propan-2-yl 4-chloro-3-(1,3-dioxoisoindol-2-yl)benzoate
CID 168516562
4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane
CID 153350025

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylic acid;molecular iodine;propan-2-yl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate;vanadium;hydrobromide?
The IUPAC name of 4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylic acid;molecular iodine;propan-2-yl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate;vanadium;hydrobromide (CID 157385553) is 4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylic acid;molecular iodine;propan-2-yl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate;vanadium;hydrobromide.
What is the SMILES notation for 4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylic acid;molecular iodine;propan-2-yl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate;vanadium;hydrobromide?
The canonical SMILES for 4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylic acid;molecular iodine;propan-2-yl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate;vanadium;hydrobromide is Br.CC(C)OC(=O)c1nc(F)c(F)c(N2C(=O)c3ccccc3C2=O)c1Cl.II.Nc1c(F)c(Br)nc(C(=O)O)c1Cl.[V].
What is the InChIKey of 4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylic acid;molecular iodine;propan-2-yl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate;vanadium;hydrobromide?
The InChIKey is ONWDHXSCKXJGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2O4.C6H3BrClFN2O2.BrH.I2.V/c1-7(2)26-17(25)12-10(18)13(11(19)14(20)21-12)22-15(23)8-5-3-4-6-9(8)16(22)24;7-5-2(9)3(10)1(8)4(11-5)6(12)13;;1-2;/h3-7H,1-2H3;(H2,10,11)(H,12,13);1H;;.
What are the key properties of 4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylic acid;molecular iodine;propan-2-yl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate;vanadium;hydrobromide?
4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylic acid;molecular iodine;propan-2-yl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate;vanadium;hydrobromide has a molecular weight of 1035.85 g/mol, XLogP of 7.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-bromo-3-chloro-5-fluoropyridine-2-carboxylic acid;molecular iodine;propan-2-yl 3-chloro-4-(1,3-dioxoisoindol-2-yl)-5,6-difluoropyridine-2-carboxylate;vanadium;hydrobromide is sourced from PubChem (CID 157385553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).