[4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate

C16H13ClF2N2O5 — CID 67419635

IUPAC[4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate
SMILESCOC(=O)Oc1nc(-c2ccc(F)c(OC)c2F)cc(NC(C)=O)c1Cl
InChIInChI=1S/C16H13ClF2N2O5/c1-7(22)20-11-6-10(21-15(12(11)17)26-16(23)25-3)8-4-5-9(18)14(24-2)13(8)19/h4-6H,1-3H3,(H,20,21,22)
InChIKeyCNMRNBKJVMDWCY-UHFFFAOYSA-N
MW386.74 g/mol
LogP3.79
Rot. Bonds4

About [4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate

[4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate (PubChem CID 67419635) has the molecular formula C16H13ClF2N2O5 and a molecular weight of 386.74 g/mol. Its IUPAC name is [4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate.

Molecular Properties

Compound Name[4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate
PubChem CID67419635
Molecular FormulaC16H13ClF2N2O5
Molecular Weight386.74 g/mol
Exact Mass386.05
IUPAC Name[4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate
SMILESCOC(=O)Oc1nc(-c2ccc(F)c(OC)c2F)cc(NC(C)=O)c1Cl
InChIInChI=1S/C16H13ClF2N2O5/c1-7(22)20-11-6-10(21-15(12(11)17)26-16(23)25-3)8-4-5-9(18)14(24-2)13(8)19/h4-6H,1-3H3,(H,20,21,22)
InChIKeyCNMRNBKJVMDWCY-UHFFFAOYSA-N
XLogP3.79
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.74
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate?
The IUPAC name of [4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate (CID 67419635) is [4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate.
What is the SMILES notation for [4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate?
The canonical SMILES for [4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate is COC(=O)Oc1nc(-c2ccc(F)c(OC)c2F)cc(NC(C)=O)c1Cl.
What is the InChIKey of [4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate?
The InChIKey is CNMRNBKJVMDWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O5/c1-7(22)20-11-6-10(21-15(12(11)17)26-16(23)25-3)8-4-5-9(18)14(24-2)13(8)19/h4-6H,1-3H3,(H,20,21,22).
What are the key properties of [4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate?
[4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate has a molecular weight of 386.74 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate is sourced from PubChem (CID 67419635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).