[4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate

C16H13Cl2FN2O6 — CID 121375195

IUPAC[4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate
SMILESCOCOc1c(Cl)ccc(-c2cc(NC(C)=O)c(Cl)c(OC(=O)O)n2)c1F
InChIInChI=1S/C16H13Cl2FN2O6/c1-7(22)20-11-5-10(21-15(12(11)18)27-16(23)24)8-3-4-9(17)14(13(8)19)26-6-25-2/h3-5H,6H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyLCFREZUUANTMFJ-UHFFFAOYSA-N
MW419.19 g/mol
LogP4.19
Rot. Bonds6

About [4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate

[4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate (PubChem CID 121375195) has the molecular formula C16H13Cl2FN2O6 and a molecular weight of 419.19 g/mol. Its IUPAC name is [4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate
PubChem CID121375195
Molecular FormulaC16H13Cl2FN2O6
Molecular Weight419.19 g/mol
Exact Mass418.01
IUPAC Name[4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate
SMILESCOCOc1c(Cl)ccc(-c2cc(NC(C)=O)c(Cl)c(OC(=O)O)n2)c1F
InChIInChI=1S/C16H13Cl2FN2O6/c1-7(22)20-11-5-10(21-15(12(11)18)27-16(23)24)8-3-4-9(17)14(13(8)19)26-6-25-2/h3-5H,6H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyLCFREZUUANTMFJ-UHFFFAOYSA-N
XLogP4.19
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.19
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(2,2,2-trifluoroacetyl)phenyl]-2-pyridinyl] hydrogen carbonate
CID 121375161
[4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate
CID 67419635
[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
CID 67419415
[4-acetamido-3-chloro-6-(2-chloro-4,6-difluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
CID 121375150
6-(4-acetamido-5-chloro-6-methoxycarbonyl-2-pyridinyl)-3-chloro-2-fluorobenzoic acid
CID 90416355
[4-acetamido-3-chloro-6-(4-chloro-2-fluoro-5-methoxyphenyl)-2-pyridinyl] methyl carbonate
CID 67418556
methyl 4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoroethyl)phenyl]pyridine-2-carboxylate
CID 142760620
methyl 4-acetamido-3-chloro-6-(4-chloro-3-fluoro-2-formylphenyl)pyridine-2-carboxylate
CID 90415466
4-acetamido-3-chloro-6-(2,4-difluoro-3-methylphenyl)pyridine-2-carboxylic acid
CID 141178493
4-acetamido-3-chloro-6-(2,3-difluoro-4-trimethylsilylphenyl)pyridine-2-carboxylic acid
CID 141417503
[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylsulfonylphenyl)-2-pyridinyl] methyl carbonate
CID 67420061
[4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate
CID 68648426

Frequently Asked Questions

What is the IUPAC name of [4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate?
The IUPAC name of [4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate (CID 121375195) is [4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate?
The canonical SMILES for [4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate is COCOc1c(Cl)ccc(-c2cc(NC(C)=O)c(Cl)c(OC(=O)O)n2)c1F.
What is the InChIKey of [4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate?
The InChIKey is LCFREZUUANTMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2FN2O6/c1-7(22)20-11-5-10(21-15(12(11)18)27-16(23)24)8-3-4-9(17)14(13(8)19)26-6-25-2/h3-5H,6H2,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of [4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate?
[4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate has a molecular weight of 419.19 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetamido-3-chloro-6-[4-chloro-2-fluoro-3-(methoxymethoxy)phenyl]-2-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 121375195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).