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

C13H10Cl2N2O2 — CID 133087385

IUPACmethyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(Cl)cc2Cl)c(N)c1
InChIInChI=1S/C13H10Cl2N2O2/c1-19-13(18)7-4-11(16)12(17-6-7)9-3-2-8(14)5-10(9)15/h2-6H,16H2,1H3
InChIKeyJNSREVSRXJKYSC-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.42
Rot. Bonds2

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

methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate (PubChem CID 133087385) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate
PubChem CID133087385
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Namemethyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(Cl)cc2Cl)c(N)c1
InChIInChI=1S/C13H10Cl2N2O2/c1-19-13(18)7-4-11(16)12(17-6-7)9-3-2-8(14)5-10(9)15/h2-6H,16H2,1H3
InChIKeyJNSREVSRXJKYSC-UHFFFAOYSA-N
XLogP3.42
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087184
5-amino-6-(2,5-dichlorophenyl)pyridine-3-carboxylic acid
CID 133087222
methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate
CID 62278570
methyl 6-(2,4-dichlorophenyl)-5-methylpyridazine-3-carboxylate
CID 15274283
methyl 4-chloro-1-(4-chloro-2-methoxyphenyl)isoquinoline-7-carboxylate
CID 67961998
methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
CID 10126602
methyl 5-(2,4-dichlorophenyl)-2-fluoropyridine-4-carboxylate
CID 133090457
methyl 3-(2,4-dichlorophenyl)-5-fluoropyridine-2-carboxylate
CID 133090813
methyl 5-(4-chlorophenyl)-6-methoxypyridine-3-carboxylate
CID 175171201
methyl 6-acetamido-5-aminopyridine-3-carboxylate
CID 71100128
methyl 5-amino-6-methylsulfanylpyridine-3-carboxylate
CID 23204634
methyl 4-chloro-1-(2-chloro-4-methoxyphenyl)isoquinoline-7-carboxylate
CID 67961988

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate (CID 133087385) is methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate is COC(=O)c1cnc(-c2ccc(Cl)cc2Cl)c(N)c1.
What is the InChIKey of methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate?
The InChIKey is JNSREVSRXJKYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-19-13(18)7-4-11(16)12(17-6-7)9-3-2-8(14)5-10(9)15/h2-6H,16H2,1H3.
What are the key properties of methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate?
methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate has a molecular weight of 297.14 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(2,4-dichlorophenyl)pyridine-3-carboxylate is sourced from PubChem (CID 133087385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).