2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine

C7H7N5O2 — CID 171705544

IUPAC2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine
SMILESCn1nc2ncc([N+](=O)[O-])cc2c1N
InChIInChI=1S/C7H7N5O2/c1-11-6(8)5-2-4(12(13)14)3-9-7(5)10-11/h2-3H,8H2,1H3
InChIKeyPQXMEICJZWBODX-UHFFFAOYSA-N
MW193.17 g/mol
LogP0.46
Rot. Bonds1

About 2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine

2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine (PubChem CID 171705544) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine
PubChem CID171705544
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine
SMILESCn1nc2ncc([N+](=O)[O-])cc2c1N
InChIInChI=1S/C7H7N5O2/c1-11-6(8)5-2-4(12(13)14)3-9-7(5)10-11/h2-3H,8H2,1H3
InChIKeyPQXMEICJZWBODX-UHFFFAOYSA-N
XLogP0.46
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137302564
3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine
CID 44550526
1-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridin-3-one
CID 67989684
4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one
CID 15153036
2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine
CID 15448616
3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine
CID 131043079
N,N,2-trimethyl-5-nitroindazol-3-amine
CID 12649206
3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxamide
CID 6611040
5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 86207952
5-methyl-3-nitroquinoline
CID 119082281
1-methyl-3-nitropyrazol-5-amine
CID 14614016
ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 143070523

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine (CID 171705544) is 2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine is Cn1nc2ncc([N+](=O)[O-])cc2c1N.
What is the InChIKey of 2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is PQXMEICJZWBODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-11-6(8)5-2-4(12(13)14)3-9-7(5)10-11/h2-3H,8H2,1H3.
What are the key properties of 2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine?
2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 193.17 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 171705544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).