7-iodo-1H-pyrazolo[4,3-c]isoquinoline

C10H6IN3 — CID 154034333

IUPAC7-iodo-1H-pyrazolo[4,3-c]isoquinoline
SMILESIc1ccc2c(cnc3cn[nH]c32)c1
InChIInChI=1S/C10H6IN3/c11-7-1-2-8-6(3-7)4-12-9-5-13-14-10(8)9/h1-5H,(H,13,14)
InChIKeyKPDLMWHOLJERHW-UHFFFAOYSA-N
MW295.08 g/mol
LogP2.72
Rot. Bonds

About 7-iodo-1H-pyrazolo[4,3-c]isoquinoline

7-iodo-1H-pyrazolo[4,3-c]isoquinoline (PubChem CID 154034333) has the molecular formula C10H6IN3 and a molecular weight of 295.08 g/mol. Its IUPAC name is 7-iodo-1H-pyrazolo[4,3-c]isoquinoline.

Molecular Properties

Compound Name7-iodo-1H-pyrazolo[4,3-c]isoquinoline
PubChem CID154034333
Molecular FormulaC10H6IN3
Molecular Weight295.08 g/mol
Exact Mass294.96
IUPAC Name7-iodo-1H-pyrazolo[4,3-c]isoquinoline
SMILESIc1ccc2c(cnc3cn[nH]c32)c1
InChIInChI=1S/C10H6IN3/c11-7-1-2-8-6(3-7)4-12-9-5-13-14-10(8)9/h1-5H,(H,13,14)
InChIKeyKPDLMWHOLJERHW-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-iodoisoquinolin-4-ol
CID 151672694
1H-pyrazolo[4,3-b]pyridin-7-amine;hydrochloride
CID 138040079
3-(4-iodophenyl)phenanthridine
CID 144968877
4-chloro-7-iodo-3-methylquinoline
CID 163475461
1,4-diiodobenzene;2,6-diiodonaphthalene
CID 70426003
6-iodo-[1,2]thiazolo[5,4-b]quinoline
CID 156783020
5-iodo-2H-indazole-3-carbaldehyde
CID 23134546
6-iodo-1H-pyrazolo[3,4-d]pyrimidine
CID 91507091
6-iodo-3-methylquinolin-4-amine
CID 39733707
3,6-diiodoacridine
CID 634773
7-bromo-4-chloro-3H-pyrazolo[5,4-c]quinoline
CID 90104011
6-bromo-7-iodo-1H-indazole
CID 171662481

Frequently Asked Questions

What is the IUPAC name of 7-iodo-1H-pyrazolo[4,3-c]isoquinoline?
The IUPAC name of 7-iodo-1H-pyrazolo[4,3-c]isoquinoline (CID 154034333) is 7-iodo-1H-pyrazolo[4,3-c]isoquinoline.
What is the SMILES notation for 7-iodo-1H-pyrazolo[4,3-c]isoquinoline?
The canonical SMILES for 7-iodo-1H-pyrazolo[4,3-c]isoquinoline is Ic1ccc2c(cnc3cn[nH]c32)c1.
What is the InChIKey of 7-iodo-1H-pyrazolo[4,3-c]isoquinoline?
The InChIKey is KPDLMWHOLJERHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6IN3/c11-7-1-2-8-6(3-7)4-12-9-5-13-14-10(8)9/h1-5H,(H,13,14).
What are the key properties of 7-iodo-1H-pyrazolo[4,3-c]isoquinoline?
7-iodo-1H-pyrazolo[4,3-c]isoquinoline has a molecular weight of 295.08 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-1H-pyrazolo[4,3-c]isoquinoline is sourced from PubChem (CID 154034333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).