CID 177308331

C13H14ClGeN — CID 177308331

IUPAC—
SMILESCC(C)(C)[Ge]c1ccc2c(Cl)nccc2c1
InChIInChI=1S/C13H14ClGeN/c1-13(2,3)15-10-4-5-11-9(8-10)6-7-16-12(11)14/h4-8H,1-3H3
InChIKeyALCFLPCPUOHHOU-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.44
Rot. Bonds1

About CID 177308331

CID 177308331 (PubChem CID 177308331) has the molecular formula C13H14ClGeN and a molecular weight of 292.33 g/mol.

Molecular Properties

Compound NameCID 177308331
PubChem CID177308331
Molecular FormulaC13H14ClGeN
Molecular Weight292.33 g/mol
Exact Mass293.00
IUPAC Name—
SMILESCC(C)(C)[Ge]c1ccc2c(Cl)nccc2c1
InChIInChI=1S/C13H14ClGeN/c1-13(2,3)15-10-4-5-11-9(8-10)6-7-16-12(11)14/h4-8H,1-3H3
InChIKeyALCFLPCPUOHHOU-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 177308331?
The IUPAC name of CID 177308331 (CID 177308331) is not available.
What is the SMILES notation for CID 177308331?
The canonical SMILES for CID 177308331 is CC(C)(C)[Ge]c1ccc2c(Cl)nccc2c1.
What is the InChIKey of CID 177308331?
The InChIKey is ALCFLPCPUOHHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClGeN/c1-13(2,3)15-10-4-5-11-9(8-10)6-7-16-12(11)14/h4-8H,1-3H3.
What are the key properties of CID 177308331?
CID 177308331 has a molecular weight of 292.33 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177308331 is sourced from PubChem (CID 177308331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).