CID 6368102

C13H20BrO2Pb — CID 6368102

IUPAC—
SMILESCC[Pb](CC)CC.O=C(O)c1cccc(Br)c1
InChIInChI=1S/C7H5BrO2.3C2H5.Pb/c8-6-3-1-2-5(4-6)7(9)10;3*1-2;/h1-4H,(H,9,10);3*1H2,2H3;
InChIKeyMFTNKMKKLDUCQH-UHFFFAOYSA-N
MW495.41 g/mol
LogP4.69
Rot. Bonds4

About CID 6368102

CID 6368102 (PubChem CID 6368102) has the molecular formula C13H20BrO2Pb and a molecular weight of 495.41 g/mol.

Molecular Properties

Compound NameCID 6368102
PubChem CID6368102
Molecular FormulaC13H20BrO2Pb
Molecular Weight495.41 g/mol
Exact Mass495.04
IUPAC Name—
SMILESCC[Pb](CC)CC.O=C(O)c1cccc(Br)c1
InChIInChI=1S/C7H5BrO2.3C2H5.Pb/c8-6-3-1-2-5(4-6)7(9)10;3*1-2;/h1-4H,(H,9,10);3*1H2,2H3;
InChIKeyMFTNKMKKLDUCQH-UHFFFAOYSA-N
XLogP4.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 6368102?
The IUPAC name of CID 6368102 (CID 6368102) is not available.
What is the SMILES notation for CID 6368102?
The canonical SMILES for CID 6368102 is CC[Pb](CC)CC.O=C(O)c1cccc(Br)c1.
What is the InChIKey of CID 6368102?
The InChIKey is MFTNKMKKLDUCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO2.3C2H5.Pb/c8-6-3-1-2-5(4-6)7(9)10;3*1-2;/h1-4H,(H,9,10);3*1H2,2H3;.
What are the key properties of CID 6368102?
CID 6368102 has a molecular weight of 495.41 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6368102 is sourced from PubChem (CID 6368102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).