1-ethylphenanthro[9,10-c]pyridine

C19H15N — CID 134322717

IUPAC1-ethylphenanthro[9,10-c]pyridine
SMILESCCc1nccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C19H15N/c1-2-18-19-16-10-6-5-8-14(16)13-7-3-4-9-15(13)17(19)11-12-20-18/h3-12H,2H2,1H3
InChIKeySKGKIXMDHJYTAH-UHFFFAOYSA-N
MW257.34 g/mol
LogP5.10
Rot. Bonds1

About 1-ethylphenanthro[9,10-c]pyridine

1-ethylphenanthro[9,10-c]pyridine (PubChem CID 134322717) has the molecular formula C19H15N and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-ethylphenanthro[9,10-c]pyridine.

Molecular Properties

Compound Name1-ethylphenanthro[9,10-c]pyridine
PubChem CID134322717
Molecular FormulaC19H15N
Molecular Weight257.34 g/mol
Exact Mass257.12
IUPAC Name1-ethylphenanthro[9,10-c]pyridine
SMILESCCc1nccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C19H15N/c1-2-18-19-16-10-6-5-8-14(16)13-7-3-4-9-15(13)17(19)11-12-20-18/h3-12H,2H2,1H3
InChIKeySKGKIXMDHJYTAH-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 1-ethylphenanthro[9,10-c]pyridine?
The IUPAC name of 1-ethylphenanthro[9,10-c]pyridine (CID 134322717) is 1-ethylphenanthro[9,10-c]pyridine.
What is the SMILES notation for 1-ethylphenanthro[9,10-c]pyridine?
The canonical SMILES for 1-ethylphenanthro[9,10-c]pyridine is CCc1nccc2c3ccccc3c3ccccc3c12.
What is the InChIKey of 1-ethylphenanthro[9,10-c]pyridine?
The InChIKey is SKGKIXMDHJYTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N/c1-2-18-19-16-10-6-5-8-14(16)13-7-3-4-9-15(13)17(19)11-12-20-18/h3-12H,2H2,1H3.
What are the key properties of 1-ethylphenanthro[9,10-c]pyridine?
1-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 1-ethylphenanthro[9,10-c]pyridine is sourced from PubChem (CID 134322717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).