methyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate

C14H8Cl2F2N2O4 — CID 90437775

IUPACmethyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc(N)c1Cl
InChIInChI=1S/C14H8Cl2F2N2O4/c1-22-13(21)12-11(16)7(19)4-8(20-12)5-2-9-10(3-6(5)15)24-14(17,18)23-9/h2-4H,1H3,(H2,19,20)
InChIKeyDEUYWEFJWPTYFQ-UHFFFAOYSA-N
MW377.13 g/mol
LogP3.75
Rot. Bonds2

About methyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate (PubChem CID 90437775) has the molecular formula C14H8Cl2F2N2O4 and a molecular weight of 377.13 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate
PubChem CID90437775
Molecular FormulaC14H8Cl2F2N2O4
Molecular Weight377.13 g/mol
Exact Mass375.98
IUPAC Namemethyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc(N)c1Cl
InChIInChI=1S/C14H8Cl2F2N2O4/c1-22-13(21)12-11(16)7(19)4-8(20-12)5-2-9-10(3-6(5)15)24-14(17,18)23-9/h2-4H,1H3,(H2,19,20)
InChIKeyDEUYWEFJWPTYFQ-UHFFFAOYSA-N
XLogP3.75
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.13
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate with MolForge

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Related Compounds

methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate
CID 68596195
methyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate
CID 68600303
methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate
CID 90441363
methyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate
CID 140623371
methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate
CID 68598377
methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
CID 90440355
methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-formylphenyl)pyridine-2-carboxylate
CID 129168945
methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90441333
methyl 4-amino-3-chloro-6-(4-fluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate
CID 68596863
methyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate
CID 67974580
methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90415314
methyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate
CID 22677456

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate (CID 90437775) is methyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate is COC(=O)c1nc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate?
The InChIKey is DEUYWEFJWPTYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2N2O4/c1-22-13(21)12-11(16)7(19)4-8(20-12)5-2-9-10(3-6(5)15)24-14(17,18)23-9/h2-4H,1H3,(H2,19,20).
What are the key properties of methyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate has a molecular weight of 377.13 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate is sourced from PubChem (CID 90437775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).