CID 175543320

C14H12N4OPb — CID 175543320

IUPAC—
SMILESNC(=O)c1ccccc1.[Pb].c1cnc2cncnc2c1
InChIInChI=1S/C7H5N3.C7H7NO.Pb/c1-2-6-7(9-3-1)4-8-5-10-6;8-7(9)6-4-2-1-3-5-6;/h1-5H;1-5H,(H2,8,9);
InChIKeyXGRLXCZAKGRAKH-UHFFFAOYSA-N
MW459.48 g/mol
LogP1.43
Rot. Bonds1

About CID 175543320

CID 175543320 (PubChem CID 175543320) has the molecular formula C14H12N4OPb and a molecular weight of 459.48 g/mol.

Molecular Properties

Compound NameCID 175543320
PubChem CID175543320
Molecular FormulaC14H12N4OPb
Molecular Weight459.48 g/mol
Exact Mass460.08
IUPAC Name—
SMILESNC(=O)c1ccccc1.[Pb].c1cnc2cncnc2c1
InChIInChI=1S/C7H5N3.C7H7NO.Pb/c1-2-6-7(9-3-1)4-8-5-10-6;8-7(9)6-4-2-1-3-5-6;/h1-5H;1-5H,(H2,8,9);
InChIKeyXGRLXCZAKGRAKH-UHFFFAOYSA-N
XLogP1.43
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 67738089
carbonic acid;quinoline
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oxalic acid;pyridine-3-carboxamide
CID 69110411
4-carbamoylbenzoic acid;pyridine-3-carboxamide
CID 70159642
pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of CID 175543320?
The IUPAC name of CID 175543320 (CID 175543320) is not available.
What is the SMILES notation for CID 175543320?
The canonical SMILES for CID 175543320 is NC(=O)c1ccccc1.[Pb].c1cnc2cncnc2c1.
What is the InChIKey of CID 175543320?
The InChIKey is XGRLXCZAKGRAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3.C7H7NO.Pb/c1-2-6-7(9-3-1)4-8-5-10-6;8-7(9)6-4-2-1-3-5-6;/h1-5H;1-5H,(H2,8,9);.
What are the key properties of CID 175543320?
CID 175543320 has a molecular weight of 459.48 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175543320 is sourced from PubChem (CID 175543320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).