4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine

C8H7N3O2 — CID 53412895

IUPAC4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine
SMILESCc1cncc2[nH]cc([N+](=O)[O-])c12
InChIInChI=1S/C8H7N3O2/c1-5-2-9-3-6-8(5)7(4-10-6)11(12)13/h2-4,10H,1H3
InChIKeyAGQXSMXSSDORNO-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.78
Rot. Bonds1

About 4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine

4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine (PubChem CID 53412895) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine
PubChem CID53412895
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine
SMILESCc1cncc2[nH]cc([N+](=O)[O-])c12
InChIInChI=1S/C8H7N3O2/c1-5-2-9-3-6-8(5)7(4-10-6)11(12)13/h2-4,10H,1H3
InChIKeyAGQXSMXSSDORNO-UHFFFAOYSA-N
XLogP1.78
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-nitro-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile
CID 53412847
3-iodo-4-nitro-1H-pyrrolo[2,3-c]pyridine
CID 53412698
2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine
CID 13302381
5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine
CID 53412730
4-methyl-5-nitropyridin-3-ol
CID 131057783
4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine
CID 126970309
3-methyl-4-nitro-1H-pyrrole-2-carbaldehyde
CID 87813277
5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine
CID 131031894
6-methyl-4-nitro-1H-benzimidazole
CID 46707907
2,5-dimethyl-3-nitropyridine
CID 12626468
5-[oxido(oxo)(15N)(15N)azaniumyl]-1H-imidazole
CID 11434928
3-methyl-4-(2-nitrophenyl)pyridine
CID 603571

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine (CID 53412895) is 4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine is Cc1cncc2[nH]cc([N+](=O)[O-])c12.
What is the InChIKey of 4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is AGQXSMXSSDORNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-5-2-9-3-6-8(5)7(4-10-6)11(12)13/h2-4,10H,1H3.
What are the key properties of 4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine?
4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 177.16 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 53412895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).