ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate

C14H11Cl3N2O2 — CID 22677283

IUPACethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)cc2Cl)cc(N)c1Cl
InChIInChI=1S/C14H11Cl3N2O2/c1-2-21-14(20)13-12(17)10(18)6-11(19-13)8-4-3-7(15)5-9(8)16/h3-6H,2H2,1H3,(H2,18,19)
InChIKeyWKNBBLJWALGDQZ-UHFFFAOYSA-N
MW345.61 g/mol
LogP4.47
Rot. Bonds3

About ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate

ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate (PubChem CID 22677283) has the molecular formula C14H11Cl3N2O2 and a molecular weight of 345.61 g/mol. Its IUPAC name is ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
PubChem CID22677283
Molecular FormulaC14H11Cl3N2O2
Molecular Weight345.61 g/mol
Exact Mass343.99
IUPAC Nameethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(Cl)cc2Cl)cc(N)c1Cl
InChIInChI=1S/C14H11Cl3N2O2/c1-2-21-14(20)13-12(17)10(18)6-11(19-13)8-4-3-7(15)5-9(8)16/h3-6H,2H2,1H3,(H2,18,19)
InChIKeyWKNBBLJWALGDQZ-UHFFFAOYSA-N
XLogP4.47
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.61
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate
CID 90441363
methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate
CID 68596195
methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90441333
4-amino-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid
CID 68598483
ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate
CID 59863038
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-(1-fluoropropyl)phenyl]pyridine-2-carboxylate
CID 68599293
ethyl 5-(2-amino-4-chlorobenzoyl)-2H-triazole-4-carboxylate
CID 18358857
methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90415314
methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate
CID 68598377
ethyl 4-chloro-2-(2,4-dichlorophenyl)-6-methylquinoline-3-carboxylate
CID 141399841
methyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate
CID 140623371

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate (CID 22677283) is ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate is CCOC(=O)c1nc(-c2ccc(Cl)cc2Cl)cc(N)c1Cl.
What is the InChIKey of ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate?
The InChIKey is WKNBBLJWALGDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O2/c1-2-21-14(20)13-12(17)10(18)6-11(19-13)8-4-3-7(15)5-9(8)16/h3-6H,2H2,1H3,(H2,18,19).
What are the key properties of ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate?
ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate has a molecular weight of 345.61 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-3-chloro-6-(2,4-dichlorophenyl)pyridine-2-carboxylate is sourced from PubChem (CID 22677283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).