[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

Analyze [4-amino-3-chloro-6-(4-chloro-3-cyano-2-fluorophenyl)-2-pyridinyl] methyl 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-amino-3-chloro-6-(4-chloro-2-fluoro-3-methylsulfonylphenyl)-2-pyridinyl] methyl carbonate
CID 67420061
[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
CID 67419415
[4-acetamido-3-chloro-6-(2,4-difluoro-3-methoxyphenyl)-2-pyridinyl] methyl carbonate
CID 67419635
[4-amino-6-(4-bromo-2,6-difluoro-3-methoxyphenyl)-3-chloro-2-pyridinyl] methyl carbonate
CID 87392684
methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-formylphenyl)pyridine-2-carboxylate
CID 129168945
methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate
CID 68598377
methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90441333
1-[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinyl]-2-(2-methylpropoxy)ethanone
CID 148662657
methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(1-fluoropropyl)phenyl]pyridine-2-carboxylate
CID 68599293
[4-amino-3-chloro-6-(4-fluoro-1,3-benzodioxol-5-yl)-2-pyridinyl] hydrogen carbonate
CID 67417652
[4-amino-6-(2-amino-4-chlorophenyl)-3-chloro-2-pyridinyl] hydrogen carbonate
CID 67974691
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine
CID 66766863

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).