3-ethylphenanthro[9,10-c]pyridine

C19H15N — CID 91024041

IUPAC3-ethylphenanthro[9,10-c]pyridine
SMILESCCc1cc2c3ccccc3c3ccccc3c2cn1
InChIInChI=1S/C19H15N/c1-2-13-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19(18)12-20-13/h3-12H,2H2,1H3
InChIKeyZTKLXRDVNXPHCN-UHFFFAOYSA-N
MW257.34 g/mol
LogP5.10
Rot. Bonds1

About 3-ethylphenanthro[9,10-c]pyridine

3-ethylphenanthro[9,10-c]pyridine (PubChem CID 91024041) has the molecular formula C19H15N and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-ethylphenanthro[9,10-c]pyridine.

Molecular Properties

Compound Name3-ethylphenanthro[9,10-c]pyridine
PubChem CID91024041
Molecular FormulaC19H15N
Molecular Weight257.34 g/mol
Exact Mass257.12
IUPAC Name3-ethylphenanthro[9,10-c]pyridine
SMILESCCc1cc2c3ccccc3c3ccccc3c2cn1
InChIInChI=1S/C19H15N/c1-2-13-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19(18)12-20-13/h3-12H,2H2,1H3
InChIKeyZTKLXRDVNXPHCN-UHFFFAOYSA-N
XLogP5.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.34
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethylphenanthro[9,10-c]pyridine?
The IUPAC name of 3-ethylphenanthro[9,10-c]pyridine (CID 91024041) is 3-ethylphenanthro[9,10-c]pyridine.
What is the SMILES notation for 3-ethylphenanthro[9,10-c]pyridine?
The canonical SMILES for 3-ethylphenanthro[9,10-c]pyridine is CCc1cc2c3ccccc3c3ccccc3c2cn1.
What is the InChIKey of 3-ethylphenanthro[9,10-c]pyridine?
The InChIKey is ZTKLXRDVNXPHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N/c1-2-13-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19(18)12-20-13/h3-12H,2H2,1H3.
What are the key properties of 3-ethylphenanthro[9,10-c]pyridine?
3-ethylphenanthro[9,10-c]pyridine has a molecular weight of 257.34 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylphenanthro[9,10-c]pyridine is sourced from PubChem (CID 91024041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).