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

C13H9Cl3N2O2 — CID 134636559

IUPACmethyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2c(Cl)cc(Cl)cc2Cl)c1N
InChIInChI=1S/C13H9Cl3N2O2/c1-20-13(19)7-2-3-18-12(11(7)17)10-8(15)4-6(14)5-9(10)16/h2-5H,17H2,1H3
InChIKeyWGCFRLGIMRKBLJ-UHFFFAOYSA-N
MW331.59 g/mol
LogP4.08
Rot. Bonds2

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

methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate (PubChem CID 134636559) has the molecular formula C13H9Cl3N2O2 and a molecular weight of 331.59 g/mol. Its IUPAC name is methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
PubChem CID134636559
Molecular FormulaC13H9Cl3N2O2
Molecular Weight331.59 g/mol
Exact Mass329.97
IUPAC Namemethyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2c(Cl)cc(Cl)cc2Cl)c1N
InChIInChI=1S/C13H9Cl3N2O2/c1-20-13(19)7-2-3-18-12(11(7)17)10-8(15)4-6(14)5-9(10)16/h2-5H,17H2,1H3
InChIKeyWGCFRLGIMRKBLJ-UHFFFAOYSA-N
XLogP4.08
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.59
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-2-(2,5-dichlorophenyl)pyridine-4-carboxylate
CID 133087227
methyl 3-amino-2-(3,4,5-trichlorophenyl)pyridine-4-carboxylate
CID 134636195
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
methyl 3-amino-2-(4-bromo-3-chloroanilino)pyridine-4-carboxylate
CID 107615651
methyl 2-chlorofuro[3,2-b]pyridine-7-carboxylate
CID 178038672
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864
methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133091002
methyl 2-amino-3-phenylpyridine-4-carboxylate
CID 133098297
methyl 3-chloro-2-pyridin-4-ylpyridine-4-carboxylate
CID 46317559
methyl 5-amino-3-chloroquinoline-6-carboxylate
CID 135277922
methyl 3-amino-2-(2-chloro-4-cyanoanilino)pyridine-4-carboxylate
CID 107809760

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate (CID 134636559) is methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate is COC(=O)c1ccnc(-c2c(Cl)cc(Cl)cc2Cl)c1N.
What is the InChIKey of methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate?
The InChIKey is WGCFRLGIMRKBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O2/c1-20-13(19)7-2-3-18-12(11(7)17)10-8(15)4-6(14)5-9(10)16/h2-5H,17H2,1H3.
What are the key properties of methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate?
methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate has a molecular weight of 331.59 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(2,4,6-trichlorophenyl)pyridine-4-carboxylate is sourced from PubChem (CID 134636559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).