CID 176575383

C9H5ClFN2PbS — CID 176575383

IUPAC—
SMILESNc1nc(-c2ccc(F)c(Cl)c2)c([Pb])s1
InChIInChI=1S/C9H5ClFN2S.Pb/c10-6-3-5(1-2-7(6)11)8-4-14-9(12)13-8;/h1-3H,(H2,12,13);
InChIKeyDHAJHECDOCNUBD-UHFFFAOYSA-N
MW434.87 g/mol
LogP1.98
Rot. Bonds1

About CID 176575383

CID 176575383 (PubChem CID 176575383) has the molecular formula C9H5ClFN2PbS and a molecular weight of 434.87 g/mol.

Molecular Properties

Compound NameCID 176575383
PubChem CID176575383
Molecular FormulaC9H5ClFN2PbS
Molecular Weight434.87 g/mol
Exact Mass434.96
IUPAC Name—
SMILESNc1nc(-c2ccc(F)c(Cl)c2)c([Pb])s1
InChIInChI=1S/C9H5ClFN2S.Pb/c10-6-3-5(1-2-7(6)11)8-4-14-9(12)13-8;/h1-3H,(H2,12,13);
InChIKeyDHAJHECDOCNUBD-UHFFFAOYSA-N
XLogP1.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.87
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 176575383?
The IUPAC name of CID 176575383 (CID 176575383) is not available.
What is the SMILES notation for CID 176575383?
The canonical SMILES for CID 176575383 is Nc1nc(-c2ccc(F)c(Cl)c2)c([Pb])s1.
What is the InChIKey of CID 176575383?
The InChIKey is DHAJHECDOCNUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFN2S.Pb/c10-6-3-5(1-2-7(6)11)8-4-14-9(12)13-8;/h1-3H,(H2,12,13);.
What are the key properties of CID 176575383?
CID 176575383 has a molecular weight of 434.87 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176575383 is sourced from PubChem (CID 176575383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).