10-chlorophenanthro[9,10-b]pyrazine

C16H9ClN2 — CID 121296750

IUPAC10-chlorophenanthro[9,10-b]pyrazine
SMILESClc1ccc2c(c1)c1ccccc1c1nccnc21
InChIInChI=1S/C16H9ClN2/c17-10-5-6-13-14(9-10)11-3-1-2-4-12(11)15-16(13)19-8-7-18-15/h1-9H
InChIKeyJFGCEGJPNRBSDD-UHFFFAOYSA-N
MW264.72 g/mol
LogP4.59
Rot. Bonds

About 10-chlorophenanthro[9,10-b]pyrazine

10-chlorophenanthro[9,10-b]pyrazine (PubChem CID 121296750) has the molecular formula C16H9ClN2 and a molecular weight of 264.72 g/mol. Its IUPAC name is 10-chlorophenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name10-chlorophenanthro[9,10-b]pyrazine
PubChem CID121296750
Molecular FormulaC16H9ClN2
Molecular Weight264.72 g/mol
Exact Mass264.05
IUPAC Name10-chlorophenanthro[9,10-b]pyrazine
SMILESClc1ccc2c(c1)c1ccccc1c1nccnc21
InChIInChI=1S/C16H9ClN2/c17-10-5-6-13-14(9-10)11-3-1-2-4-12(11)15-16(13)19-8-7-18-15/h1-9H
InChIKeyJFGCEGJPNRBSDD-UHFFFAOYSA-N
XLogP4.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 10-chlorophenanthro[9,10-b]pyrazine?
The IUPAC name of 10-chlorophenanthro[9,10-b]pyrazine (CID 121296750) is 10-chlorophenanthro[9,10-b]pyrazine.
What is the SMILES notation for 10-chlorophenanthro[9,10-b]pyrazine?
The canonical SMILES for 10-chlorophenanthro[9,10-b]pyrazine is Clc1ccc2c(c1)c1ccccc1c1nccnc21.
What is the InChIKey of 10-chlorophenanthro[9,10-b]pyrazine?
The InChIKey is JFGCEGJPNRBSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN2/c17-10-5-6-13-14(9-10)11-3-1-2-4-12(11)15-16(13)19-8-7-18-15/h1-9H.
What are the key properties of 10-chlorophenanthro[9,10-b]pyrazine?
10-chlorophenanthro[9,10-b]pyrazine has a molecular weight of 264.72 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chlorophenanthro[9,10-b]pyrazine is sourced from PubChem (CID 121296750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).