methyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate

C15H14Cl2N2O3 — CID 22677487

IUPACmethyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate
SMILESCOCc1cc(-c2cc(N)c(Cl)c(C(=O)OC)n2)ccc1Cl
InChIInChI=1S/C15H14Cl2N2O3/c1-21-7-9-5-8(3-4-10(9)16)12-6-11(18)13(17)14(19-12)15(20)22-2/h3-6H,7H2,1-2H3,(H2,18,19)
InChIKeySHYQSJLQVIBEMW-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.57
Rot. Bonds4

About methyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate (PubChem CID 22677487) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate
PubChem CID22677487
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC Namemethyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate
SMILESCOCc1cc(-c2cc(N)c(Cl)c(C(=O)OC)n2)ccc1Cl
InChIInChI=1S/C15H14Cl2N2O3/c1-21-7-9-5-8(3-4-10(9)16)12-6-11(18)13(17)14(19-12)15(20)22-2/h3-6H,7H2,1-2H3,(H2,18,19)
InChIKeySHYQSJLQVIBEMW-UHFFFAOYSA-N
XLogP3.57
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate
CID 22677522
methyl 4-amino-6-(1,3-benzodioxol-5-yl)-3-chloropyridine-2-carboxylate
CID 22677261
methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate
CID 22677295
methyl 4-amino-3-chloro-6-(1H-indol-6-yl)pyridine-2-carboxylate
CID 90450989
methyl 4-amino-6-[3,4-bis[fluoro(dihydroxy)methyl]phenyl]-3-chloropyridine-2-carboxylate
CID 68600822
methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate
CID 68596195
methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 22677364
methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate
CID 90441363
methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90441333
methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate
CID 22677253
methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate
CID 68598377
methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-formylphenyl)pyridine-2-carboxylate
CID 129168945

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate (CID 22677487) is methyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate is COCc1cc(-c2cc(N)c(Cl)c(C(=O)OC)n2)ccc1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is SHYQSJLQVIBEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c1-21-7-9-5-8(3-4-10(9)16)12-6-11(18)13(17)14(19-12)15(20)22-2/h3-6H,7H2,1-2H3,(H2,18,19).
What are the key properties of methyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 341.19 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 22677487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).