methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(fluoromethylsulfanyl)phenyl]pyridine-2-carboxylate

C14H10Cl2F2N2O2S — CID 68597395

IUPACmethyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(fluoromethylsulfanyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(SCF)c2F)cc(N)c1Cl
InChIInChI=1S/C14H10Cl2F2N2O2S/c1-22-14(21)12-10(16)8(19)4-9(20-12)6-2-3-7(15)13(11(6)18)23-5-17/h2-4H,5H2,1H3,(H2,19,20)
InChIKeyJDGFEBFDIJVPSW-UHFFFAOYSA-N
MW379.22 g/mol
LogP4.58
Rot. Bonds4

About methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(fluoromethylsulfanyl)phenyl]pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(fluoromethylsulfanyl)phenyl]pyridine-2-carboxylate (PubChem CID 68597395) has the molecular formula C14H10Cl2F2N2O2S and a molecular weight of 379.22 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(fluoromethylsulfanyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(fluoromethylsulfanyl)phenyl]pyridine-2-carboxylate
PubChem CID68597395
Molecular FormulaC14H10Cl2F2N2O2S
Molecular Weight379.22 g/mol
Exact Mass377.98
IUPAC Namemethyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(fluoromethylsulfanyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)c(SCF)c2F)cc(N)c1Cl
InChIInChI=1S/C14H10Cl2F2N2O2S/c1-22-14(21)12-10(16)8(19)4-9(20-12)6-2-3-7(15)13(11(6)18)23-5-17/h2-4H,5H2,1H3,(H2,19,20)
InChIKeyJDGFEBFDIJVPSW-UHFFFAOYSA-N
XLogP4.58
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.22
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(fluoromethylsulfanyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(fluoromethylsulfanyl)phenyl]pyridine-2-carboxylate (CID 68597395) is methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(fluoromethylsulfanyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(fluoromethylsulfanyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(fluoromethylsulfanyl)phenyl]pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)c(SCF)c2F)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(fluoromethylsulfanyl)phenyl]pyridine-2-carboxylate?
The InChIKey is JDGFEBFDIJVPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2N2O2S/c1-22-14(21)12-10(16)8(19)4-9(20-12)6-2-3-7(15)13(11(6)18)23-5-17/h2-4H,5H2,1H3,(H2,19,20).
What are the key properties of methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(fluoromethylsulfanyl)phenyl]pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(fluoromethylsulfanyl)phenyl]pyridine-2-carboxylate has a molecular weight of 379.22 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(fluoromethylsulfanyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 68597395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).