methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate

C14H11Cl3N2O2 — CID 68596195

IUPACmethyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(C)c2Cl)cc(N)c1Cl
InChIInChI=1S/C14H11Cl3N2O2/c1-6-8(15)4-3-7(11(6)16)10-5-9(18)12(17)13(19-10)14(20)21-2/h3-5H,1-2H3,(H2,18,19)
InChIKeyRVNBRBYFWFERIO-UHFFFAOYSA-N
MW345.61 g/mol
LogP4.39
Rot. Bonds2

About methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate (PubChem CID 68596195) has the molecular formula C14H11Cl3N2O2 and a molecular weight of 345.61 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate
PubChem CID68596195
Molecular FormulaC14H11Cl3N2O2
Molecular Weight345.61 g/mol
Exact Mass343.99
IUPAC Namemethyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(C)c2Cl)cc(N)c1Cl
InChIInChI=1S/C14H11Cl3N2O2/c1-6-8(15)4-3-7(11(6)16)10-5-9(18)12(17)13(19-10)14(20)21-2/h3-5H,1-2H3,(H2,18,19)
InChIKeyRVNBRBYFWFERIO-UHFFFAOYSA-N
XLogP4.39
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.61
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate (CID 68596195) is methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)c(C)c2Cl)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate?
The InChIKey is RVNBRBYFWFERIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2O2/c1-6-8(15)4-3-7(11(6)16)10-5-9(18)12(17)13(19-10)14(20)21-2/h3-5H,1-2H3,(H2,18,19).
What are the key properties of methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate has a molecular weight of 345.61 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 68596195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).