7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine

C7H4BrN3O2 — CID 53413145

IUPAC7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine
SMILESO=[N+]([O-])c1c[nH]c2c(Br)ccnc12
InChIInChI=1S/C7H4BrN3O2/c8-4-1-2-9-7-5(11(12)13)3-10-6(4)7/h1-3,10H
InChIKeyKOHZOOVPZQCNSU-UHFFFAOYSA-N
MW242.03 g/mol
LogP2.23
Rot. Bonds1

About 7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine

7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 53413145) has the molecular formula C7H4BrN3O2 and a molecular weight of 242.03 g/mol. Its IUPAC name is 7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine
PubChem CID53413145
Molecular FormulaC7H4BrN3O2
Molecular Weight242.03 g/mol
Exact Mass240.95
IUPAC Name7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine
SMILESO=[N+]([O-])c1c[nH]c2c(Br)ccnc12
InChIInChI=1S/C7H4BrN3O2/c8-4-1-2-9-7-5(11(12)13)3-10-6(4)7/h1-3,10H
InChIKeyKOHZOOVPZQCNSU-UHFFFAOYSA-N
XLogP2.23
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.03
LogP ≤ 52.23
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-7-carbonitrile
CID 53412740
4,7-dinitro-1H-benzimidazole
CID 119091833
7-bromo-5-nitroquinolin-8-ol
CID 14125599
2,4-dinitropyridin-3-amine
CID 19034991
3-chloro-2,4-dinitropyridine
CID 174686743
5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine
CID 131031894
7-nitro-3H-benzimidazol-4-ol
CID 130770665
6-bromo-5-fluoro-3-nitro-1H-quinolin-4-one
CID 163217843
2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine
CID 13302381
3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine
CID 24729572
4-bromo-3-nitropyridine-2-carbaldehyde
CID 90847348
4-bromo-3-(difluoromethoxy)-2-nitropyridine
CID 118845417

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine (CID 53413145) is 7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine is O=[N+]([O-])c1c[nH]c2c(Br)ccnc12.
What is the InChIKey of 7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is KOHZOOVPZQCNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2/c8-4-1-2-9-7-5(11(12)13)3-10-6(4)7/h1-3,10H.
What are the key properties of 7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine?
7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 242.03 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 53413145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).