2-iodo-11-methylphenanthro[9,10-b]pyridine

C18H12IN — CID 166789626

IUPAC2-iodo-11-methylphenanthro[9,10-b]pyridine
SMILESCc1ccc2c3ccccc3c3ccc(I)nc3c2c1
InChIInChI=1S/C18H12IN/c1-11-6-7-14-12-4-2-3-5-13(12)15-8-9-17(19)20-18(15)16(14)10-11/h2-10H,1H3
InChIKeyLAHJBZFRAYNDCV-UHFFFAOYSA-N
MW369.21 g/mol
LogP5.45
Rot. Bonds

About 2-iodo-11-methylphenanthro[9,10-b]pyridine

2-iodo-11-methylphenanthro[9,10-b]pyridine (PubChem CID 166789626) has the molecular formula C18H12IN and a molecular weight of 369.21 g/mol. Its IUPAC name is 2-iodo-11-methylphenanthro[9,10-b]pyridine.

Molecular Properties

Compound Name2-iodo-11-methylphenanthro[9,10-b]pyridine
PubChem CID166789626
Molecular FormulaC18H12IN
Molecular Weight369.21 g/mol
Exact Mass369.00
IUPAC Name2-iodo-11-methylphenanthro[9,10-b]pyridine
SMILESCc1ccc2c3ccccc3c3ccc(I)nc3c2c1
InChIInChI=1S/C18H12IN/c1-11-6-7-14-12-4-2-3-5-13(12)15-8-9-17(19)20-18(15)16(14)10-11/h2-10H,1H3
InChIKeyLAHJBZFRAYNDCV-UHFFFAOYSA-N
XLogP5.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.21
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-11-methylphenanthro[9,10-b]pyridine?
The IUPAC name of 2-iodo-11-methylphenanthro[9,10-b]pyridine (CID 166789626) is 2-iodo-11-methylphenanthro[9,10-b]pyridine.
What is the SMILES notation for 2-iodo-11-methylphenanthro[9,10-b]pyridine?
The canonical SMILES for 2-iodo-11-methylphenanthro[9,10-b]pyridine is Cc1ccc2c3ccccc3c3ccc(I)nc3c2c1.
What is the InChIKey of 2-iodo-11-methylphenanthro[9,10-b]pyridine?
The InChIKey is LAHJBZFRAYNDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12IN/c1-11-6-7-14-12-4-2-3-5-13(12)15-8-9-17(19)20-18(15)16(14)10-11/h2-10H,1H3.
What are the key properties of 2-iodo-11-methylphenanthro[9,10-b]pyridine?
2-iodo-11-methylphenanthro[9,10-b]pyridine has a molecular weight of 369.21 g/mol, XLogP of 5.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-11-methylphenanthro[9,10-b]pyridine is sourced from PubChem (CID 166789626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).