CID 153376709

C11H13BIN3O — CID 153376709

IUPAC—
SMILESN#Cc1cc(OC2CCNCC2)ccn1.[B]I
InChIInChI=1S/C11H13N3O.BI/c12-8-9-7-11(3-6-14-9)15-10-1-4-13-5-2-10;1-2/h3,6-7,10,13H,1-2,4-5H2;
InChIKeyYCBIYWIEQNMBPP-UHFFFAOYSA-N
MW340.96 g/mol
LogP1.59
Rot. Bonds2

About CID 153376709

CID 153376709 (PubChem CID 153376709) has the molecular formula C11H13BIN3O and a molecular weight of 340.96 g/mol.

Molecular Properties

Compound NameCID 153376709
PubChem CID153376709
Molecular FormulaC11H13BIN3O
Molecular Weight340.96 g/mol
Exact Mass341.02
IUPAC Name—
SMILESN#Cc1cc(OC2CCNCC2)ccn1.[B]I
InChIInChI=1S/C11H13N3O.BI/c12-8-9-7-11(3-6-14-9)15-10-1-4-13-5-2-10;1-2/h3,6-7,10,13H,1-2,4-5H2;
InChIKeyYCBIYWIEQNMBPP-UHFFFAOYSA-N
XLogP1.59
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.96
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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6-piperidin-4-yloxypyridazine-3-carbonitrile
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4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile
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2-iodo-5-piperidin-4-yloxypyridine
CID 134406589
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CID 165435883
4-(4-iodophenoxy)piperidine
CID 53409910
5-piperidin-4-yloxy-1,3-dihydrobenzimidazole-2-thione
CID 117209751
1-methyl-5-piperidin-4-yloxybenzimidazole
CID 84694843
4-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxypyridine-2-carbonitrile
CID 165434598
5-piperidin-4-yloxy-1,3-benzothiazole
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Frequently Asked Questions

What is the IUPAC name of CID 153376709?
The IUPAC name of CID 153376709 (CID 153376709) is not available.
What is the SMILES notation for CID 153376709?
The canonical SMILES for CID 153376709 is N#Cc1cc(OC2CCNCC2)ccn1.[B]I.
What is the InChIKey of CID 153376709?
The InChIKey is YCBIYWIEQNMBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.BI/c12-8-9-7-11(3-6-14-9)15-10-1-4-13-5-2-10;1-2/h3,6-7,10,13H,1-2,4-5H2;.
What are the key properties of CID 153376709?
CID 153376709 has a molecular weight of 340.96 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153376709 is sourced from PubChem (CID 153376709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).