methyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate

C13H10Cl2N2O3 — CID 114408812

IUPACmethyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Oc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H10Cl2N2O3/c1-19-13(18)11-5-4-10(16)12(17-11)20-7-2-3-8(14)9(15)6-7/h2-6H,16H2,1H3
InChIKeyUTOUPCPMLPSIKW-UHFFFAOYSA-N
MW313.14 g/mol
LogP3.55
Rot. Bonds3

About methyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate

methyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate (PubChem CID 114408812) has the molecular formula C13H10Cl2N2O3 and a molecular weight of 313.14 g/mol. Its IUPAC name is methyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate
PubChem CID114408812
Molecular FormulaC13H10Cl2N2O3
Molecular Weight313.14 g/mol
Exact Mass312.01
IUPAC Namemethyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(Oc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H10Cl2N2O3/c1-19-13(18)11-5-4-10(16)12(17-11)20-7-2-3-8(14)9(15)6-7/h2-6H,16H2,1H3
InChIKeyUTOUPCPMLPSIKW-UHFFFAOYSA-N
XLogP3.55
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-6-(4-bromophenoxy)pyridine-2-carboxylate
CID 114408445
methyl 5-amino-6-(2,4-dichlorophenoxy)pyridine-2-carboxylate
CID 114408498
methyl 5-amino-6-[(5-bromo-3-pyridinyl)oxy]pyridine-2-carboxylate
CID 114409015
methyl 5-amino-6-(4-bromo-2-methylphenoxy)pyridine-2-carboxylate
CID 114408949
methyl 5-amino-6-(2,3,5-trichlorophenyl)pyridine-2-carboxylate
CID 133087058
methyl 5-amino-6-(2-hydroxyethoxy)pyridine-2-carboxylate
CID 114408695
2-amino-5-(3,4-dichlorophenoxy)benzoic acid
CID 61000632
methyl 5-amino-6-(4-methylpentan-2-yloxy)pyridine-2-carboxylate
CID 114408539
methyl 5-amino-6-(2-chloro-5-fluoroanilino)pyridine-2-carboxylate
CID 107531028
methyl 5-amino-6-iodopyridine-2-carboxylate
CID 53485922
methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate
CID 114404980
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate (CID 114408812) is methyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(Oc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of methyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate?
The InChIKey is UTOUPCPMLPSIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3/c1-19-13(18)11-5-4-10(16)12(17-11)20-7-2-3-8(14)9(15)6-7/h2-6H,16H2,1H3.
What are the key properties of methyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate?
methyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate has a molecular weight of 313.14 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(3,4-dichlorophenoxy)pyridine-2-carboxylate is sourced from PubChem (CID 114408812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).