[4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate

C14H8Cl2FN3O3 — CID 68648426

IUPAC[4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate
SMILESCOC(=O)Oc1nc(-c2ccc(Cl)c(C#N)c2F)cc(N)c1Cl
InChIInChI=1S/C14H8Cl2FN3O3/c1-22-14(21)23-13-11(16)9(19)4-10(20-13)6-2-3-8(15)7(5-18)12(6)17/h2-4H,1H3,(H2,19,20)
InChIKeyMOEIPMVYPXHZIK-UHFFFAOYSA-N
MW356.14 g/mol
LogP3.79
Rot. Bonds2

About [4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate

[4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate (PubChem CID 68648426) has the molecular formula C14H8Cl2FN3O3 and a molecular weight of 356.14 g/mol. Its IUPAC name is [4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate.

Molecular Properties

Compound Name[4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate
PubChem CID68648426
Molecular FormulaC14H8Cl2FN3O3
Molecular Weight356.14 g/mol
Exact Mass354.99
IUPAC Name[4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate
SMILESCOC(=O)Oc1nc(-c2ccc(Cl)c(C#N)c2F)cc(N)c1Cl
InChIInChI=1S/C14H8Cl2FN3O3/c1-22-14(21)23-13-11(16)9(19)4-10(20-13)6-2-3-8(15)7(5-18)12(6)17/h2-4H,1H3,(H2,19,20)
InChIKeyMOEIPMVYPXHZIK-UHFFFAOYSA-N
XLogP3.79
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.14
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-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate?
The IUPAC name of [4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate (CID 68648426) is [4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate.
What is the SMILES notation for [4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate?
The canonical SMILES for [4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate is COC(=O)Oc1nc(-c2ccc(Cl)c(C#N)c2F)cc(N)c1Cl.
What is the InChIKey of [4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate?
The InChIKey is MOEIPMVYPXHZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FN3O3/c1-22-14(21)23-13-11(16)9(19)4-10(20-13)6-2-3-8(15)7(5-18)12(6)17/h2-4H,1H3,(H2,19,20).
What are the key properties of [4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate?
[4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate has a molecular weight of 356.14 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl carbonate is sourced from PubChem (CID 68648426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).