5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine

C8H7N3O2 — CID 53412730

IUPAC5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc2[nH]cc([N+](=O)[O-])c2c1
InChIInChI=1S/C8H7N3O2/c1-5-2-6-7(11(12)13)4-10-8(6)9-3-5/h2-4H,1H3,(H,9,10)
InChIKeyOWGGSXQRLHNDGC-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.78
Rot. Bonds1

About 5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine

5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 53412730) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine
PubChem CID53412730
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc2[nH]cc([N+](=O)[O-])c2c1
InChIInChI=1S/C8H7N3O2/c1-5-2-6-7(11(12)13)4-10-8(6)9-3-5/h2-4H,1H3,(H,9,10)
InChIKeyOWGGSXQRLHNDGC-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

5-[4-(1,1-difluoroethyl)phenyl]-3-nitro-1H-pyrrolo[2,3-b]pyridine
CID 171680021
4-(3-nitro-1H-pyrrolo[2,3-b]pyridin-5-yl)but-3-enoic acid
CID 170484350
2,5-dimethyl-3-nitropyridine
CID 12626468
3,4-dihydroxy-4-(3-nitro-1H-pyrrolo[2,3-b]pyridin-5-yl)butanamide
CID 171900016
2-chloro-5-methyl-3-nitropyridine
CID 139082293
4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine
CID 126970309
1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine
CID 66279624
ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 143070523
1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
CID 66279622
5-bromo-6-methoxy-3-methyl-8-nitroquinoline
CID 119092933
5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine
CID 102913909
N-cyclopropyl-5-methyl-3-nitropyridin-2-amine
CID 46738807

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine (CID 53412730) is 5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine is Cc1cnc2[nH]cc([N+](=O)[O-])c2c1.
What is the InChIKey of 5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is OWGGSXQRLHNDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-5-2-6-7(11(12)13)4-10-8(6)9-3-5/h2-4H,1H3,(H,9,10).
What are the key properties of 5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine?
5-methyl-3-nitro-1H-pyrrolo[2,3-b]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 5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 53412730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).