[2,6-bis(4-chlorophenyl)-4-pyridinyl] hydrogen carbonate

C18H11Cl2NO3 — CID 70473325

IUPAC[2,6-bis(4-chlorophenyl)-4-pyridinyl] hydrogen carbonate
SMILESO=C(O)Oc1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H11Cl2NO3/c19-13-5-1-11(2-6-13)16-9-15(24-18(22)23)10-17(21-16)12-3-7-14(20)8-4-12/h1-10H,(H,22,23)
InChIKeyCPFPTRNXJJVSLJ-UHFFFAOYSA-N
MW360.20 g/mol
LogP5.78
Rot. Bonds3

About [2,6-bis(4-chlorophenyl)-4-pyridinyl] hydrogen carbonate

[2,6-bis(4-chlorophenyl)-4-pyridinyl] hydrogen carbonate (PubChem CID 70473325) has the molecular formula C18H11Cl2NO3 and a molecular weight of 360.20 g/mol. Its IUPAC name is [2,6-bis(4-chlorophenyl)-4-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[2,6-bis(4-chlorophenyl)-4-pyridinyl] hydrogen carbonate
PubChem CID70473325
Molecular FormulaC18H11Cl2NO3
Molecular Weight360.20 g/mol
Exact Mass359.01
IUPAC Name[2,6-bis(4-chlorophenyl)-4-pyridinyl] hydrogen carbonate
SMILESO=C(O)Oc1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H11Cl2NO3/c19-13-5-1-11(2-6-13)16-9-15(24-18(22)23)10-17(21-16)12-3-7-14(20)8-4-12/h1-10H,(H,22,23)
InChIKeyCPFPTRNXJJVSLJ-UHFFFAOYSA-N
XLogP5.78
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.20
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,6-bis(4-chlorophenyl)-4-pyridinyl] hydrogen carbonate?
The IUPAC name of [2,6-bis(4-chlorophenyl)-4-pyridinyl] hydrogen carbonate (CID 70473325) is [2,6-bis(4-chlorophenyl)-4-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [2,6-bis(4-chlorophenyl)-4-pyridinyl] hydrogen carbonate?
The canonical SMILES for [2,6-bis(4-chlorophenyl)-4-pyridinyl] hydrogen carbonate is O=C(O)Oc1cc(-c2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of [2,6-bis(4-chlorophenyl)-4-pyridinyl] hydrogen carbonate?
The InChIKey is CPFPTRNXJJVSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2NO3/c19-13-5-1-11(2-6-13)16-9-15(24-18(22)23)10-17(21-16)12-3-7-14(20)8-4-12/h1-10H,(H,22,23).
What are the key properties of [2,6-bis(4-chlorophenyl)-4-pyridinyl] hydrogen carbonate?
[2,6-bis(4-chlorophenyl)-4-pyridinyl] hydrogen carbonate has a molecular weight of 360.20 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(4-chlorophenyl)-4-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 70473325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).