1-nitro-2H-pyrazolo[3,4-c]quinoline

C10H6N4O2 — CID 141354739

IUPAC1-nitro-2H-pyrazolo[3,4-c]quinoline
SMILESO=[N+]([O-])c1[nH]nc2cnc3ccccc3c12
InChIInChI=1S/C10H6N4O2/c15-14(16)10-9-6-3-1-2-4-7(6)11-5-8(9)12-13-10/h1-5H,(H,12,13)
InChIKeyKEXKSLXAHXQOKV-UHFFFAOYSA-N
MW214.18 g/mol
LogP2.02
Rot. Bonds1

About 1-nitro-2H-pyrazolo[3,4-c]quinoline

1-nitro-2H-pyrazolo[3,4-c]quinoline (PubChem CID 141354739) has the molecular formula C10H6N4O2 and a molecular weight of 214.18 g/mol. Its IUPAC name is 1-nitro-2H-pyrazolo[3,4-c]quinoline.

Molecular Properties

Compound Name1-nitro-2H-pyrazolo[3,4-c]quinoline
PubChem CID141354739
Molecular FormulaC10H6N4O2
Molecular Weight214.18 g/mol
Exact Mass214.05
IUPAC Name1-nitro-2H-pyrazolo[3,4-c]quinoline
SMILESO=[N+]([O-])c1[nH]nc2cnc3ccccc3c12
InChIInChI=1S/C10H6N4O2/c15-14(16)10-9-6-3-1-2-4-7(6)11-5-8(9)12-13-10/h1-5H,(H,12,13)
InChIKeyKEXKSLXAHXQOKV-UHFFFAOYSA-N
XLogP2.02
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 52.02
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'}

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Related Compounds

1-methyl-2H-pyrazolo[3,4-c]quinoline
CID 141354737
1-(2H-pyrazolo[3,4-c]quinolin-1-yl)prop-2-en-1-amine
CID 66958743
4-chloro-3-nitroquinoline;ethane
CID 90799881
6-methyl-3-nitro-2H-indazole
CID 135883511
4-(2-bromophenoxy)-3-nitroquinoline
CID 103963836
3-nitro-4-(trifluoromethoxy)quinoline
CID 19034873
3-nitroquinoline-4-carboxamide
CID 19034747
3-nitro-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 137086508
4-azido-3-nitroquinoline
CID 112704025
2-nitrophenanthridine
CID 15065495
N-(3-nitroquinolin-4-yl)methanesulfinamide
CID 164871225
2-methyl-1-(3-nitroquinolin-4-yl)propan-1-amine
CID 174742802

Frequently Asked Questions

What is the IUPAC name of 1-nitro-2H-pyrazolo[3,4-c]quinoline?
The IUPAC name of 1-nitro-2H-pyrazolo[3,4-c]quinoline (CID 141354739) is 1-nitro-2H-pyrazolo[3,4-c]quinoline.
What is the SMILES notation for 1-nitro-2H-pyrazolo[3,4-c]quinoline?
The canonical SMILES for 1-nitro-2H-pyrazolo[3,4-c]quinoline is O=[N+]([O-])c1[nH]nc2cnc3ccccc3c12.
What is the InChIKey of 1-nitro-2H-pyrazolo[3,4-c]quinoline?
The InChIKey is KEXKSLXAHXQOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2/c15-14(16)10-9-6-3-1-2-4-7(6)11-5-8(9)12-13-10/h1-5H,(H,12,13).
What are the key properties of 1-nitro-2H-pyrazolo[3,4-c]quinoline?
1-nitro-2H-pyrazolo[3,4-c]quinoline has a molecular weight of 214.18 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2H-pyrazolo[3,4-c]quinoline is sourced from PubChem (CID 141354739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).