10-chloro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine

C14H7ClN4O2 — CID 118711717

IUPAC10-chloro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine
SMILESO=[N+]([O-])c1cc2[nH]ncc2c2c1ncc1ccc(Cl)cc12
InChIInChI=1S/C14H7ClN4O2/c15-8-2-1-7-5-16-14-12(19(20)21)4-11-10(6-17-18-11)13(14)9(7)3-8/h1-6H,(H,17,18)
InChIKeyICYDQKBSGOJZLC-UHFFFAOYSA-N
MW298.69 g/mol
LogP3.83
Rot. Bonds1

About 10-chloro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine

10-chloro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine (PubChem CID 118711717) has the molecular formula C14H7ClN4O2 and a molecular weight of 298.69 g/mol. Its IUPAC name is 10-chloro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine.

Molecular Properties

Compound Name10-chloro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine
PubChem CID118711717
Molecular FormulaC14H7ClN4O2
Molecular Weight298.69 g/mol
Exact Mass298.03
IUPAC Name10-chloro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine
SMILESO=[N+]([O-])c1cc2[nH]ncc2c2c1ncc1ccc(Cl)cc12
InChIInChI=1S/C14H7ClN4O2/c15-8-2-1-7-5-16-14-12(19(20)21)4-11-10(6-17-18-11)13(14)9(7)3-8/h1-6H,(H,17,18)
InChIKeyICYDQKBSGOJZLC-UHFFFAOYSA-N
XLogP3.83
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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 10-chloro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine?
The IUPAC name of 10-chloro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine (CID 118711717) is 10-chloro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine.
What is the SMILES notation for 10-chloro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine?
The canonical SMILES for 10-chloro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine is O=[N+]([O-])c1cc2[nH]ncc2c2c1ncc1ccc(Cl)cc12.
What is the InChIKey of 10-chloro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine?
The InChIKey is ICYDQKBSGOJZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN4O2/c15-8-2-1-7-5-16-14-12(19(20)21)4-11-10(6-17-18-11)13(14)9(7)3-8/h1-6H,(H,17,18).
What are the key properties of 10-chloro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine?
10-chloro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine has a molecular weight of 298.69 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-5-nitro-3H-pyrazolo[4,3-a]phenanthridine is sourced from PubChem (CID 118711717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).