6,9-dichloro-3-methylpyrazolo[1,5-f]phenanthridine-2-carbaldehyde

C17H10Cl2N2O — CID 88967161

IUPAC6,9-dichloro-3-methylpyrazolo[1,5-f]phenanthridine-2-carbaldehyde
SMILESCc1c(C=O)nn2c3ccc(Cl)cc3c3cc(Cl)ccc3c12
InChIInChI=1S/C17H10Cl2N2O/c1-9-15(8-22)20-21-16-5-3-11(19)7-14(16)13-6-10(18)2-4-12(13)17(9)21/h2-8H,1H3
InChIKeyCIQZTZJJTFUWAJ-UHFFFAOYSA-N
MW329.19 g/mol
LogP5.07
Rot. Bonds1

About 6,9-dichloro-3-methylpyrazolo[1,5-f]phenanthridine-2-carbaldehyde

6,9-dichloro-3-methylpyrazolo[1,5-f]phenanthridine-2-carbaldehyde (PubChem CID 88967161) has the molecular formula C17H10Cl2N2O and a molecular weight of 329.19 g/mol. Its IUPAC name is 6,9-dichloro-3-methylpyrazolo[1,5-f]phenanthridine-2-carbaldehyde.

Molecular Properties

Compound Name6,9-dichloro-3-methylpyrazolo[1,5-f]phenanthridine-2-carbaldehyde
PubChem CID88967161
Molecular FormulaC17H10Cl2N2O
Molecular Weight329.19 g/mol
Exact Mass328.02
IUPAC Name6,9-dichloro-3-methylpyrazolo[1,5-f]phenanthridine-2-carbaldehyde
SMILESCc1c(C=O)nn2c3ccc(Cl)cc3c3cc(Cl)ccc3c12
InChIInChI=1S/C17H10Cl2N2O/c1-9-15(8-22)20-21-16-5-3-11(19)7-14(16)13-6-10(18)2-4-12(13)17(9)21/h2-8H,1H3
InChIKeyCIQZTZJJTFUWAJ-UHFFFAOYSA-N
XLogP5.07
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.19
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 6,9-dichloro-3-methylpyrazolo[1,5-f]phenanthridine-2-carbaldehyde?
The IUPAC name of 6,9-dichloro-3-methylpyrazolo[1,5-f]phenanthridine-2-carbaldehyde (CID 88967161) is 6,9-dichloro-3-methylpyrazolo[1,5-f]phenanthridine-2-carbaldehyde.
What is the SMILES notation for 6,9-dichloro-3-methylpyrazolo[1,5-f]phenanthridine-2-carbaldehyde?
The canonical SMILES for 6,9-dichloro-3-methylpyrazolo[1,5-f]phenanthridine-2-carbaldehyde is Cc1c(C=O)nn2c3ccc(Cl)cc3c3cc(Cl)ccc3c12.
What is the InChIKey of 6,9-dichloro-3-methylpyrazolo[1,5-f]phenanthridine-2-carbaldehyde?
The InChIKey is CIQZTZJJTFUWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N2O/c1-9-15(8-22)20-21-16-5-3-11(19)7-14(16)13-6-10(18)2-4-12(13)17(9)21/h2-8H,1H3.
What are the key properties of 6,9-dichloro-3-methylpyrazolo[1,5-f]phenanthridine-2-carbaldehyde?
6,9-dichloro-3-methylpyrazolo[1,5-f]phenanthridine-2-carbaldehyde has a molecular weight of 329.19 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dichloro-3-methylpyrazolo[1,5-f]phenanthridine-2-carbaldehyde is sourced from PubChem (CID 88967161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).