5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine

C8H6ClN3O2 — CID 131031894

IUPAC5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine
SMILESCc1cc(Cl)nc2c([N+](=O)[O-])c[nH]c12
InChIInChI=1S/C8H6ClN3O2/c1-4-2-6(9)11-8-5(12(13)14)3-10-7(4)8/h2-3,10H,1H3
InChIKeyWKVDIBZGMHIARA-UHFFFAOYSA-N
MW211.61 g/mol
LogP2.43
Rot. Bonds1

About 5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine

5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 131031894) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine
PubChem CID131031894
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine
SMILESCc1cc(Cl)nc2c([N+](=O)[O-])c[nH]c12
InChIInChI=1S/C8H6ClN3O2/c1-4-2-6(9)11-8-5(12(13)14)3-10-7(4)8/h2-3,10H,1H3
InChIKeyWKVDIBZGMHIARA-UHFFFAOYSA-N
XLogP2.43
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-7-nitro-5H-pyrrolo[3,2-d]pyrimidine
CID 13302381
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CID 5375533
2-bromo-6-chloro-3-methyl-4-nitropyridine
CID 119011436
1-(6-chloro-4-nitro-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 130062797
6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one
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2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine
CID 63180759
7-bromo-3-nitro-1H-pyrrolo[3,2-b]pyridine
CID 53413145
2-chloro-5-nitro-1H-pyridine-4-thione
CID 150605541
2-(chloromethyl)-4-methyl-5-nitro-1H-benzimidazole
CID 130053119
2-chloro-3-methyl-8-nitroquinoline
CID 86241531
2-chloro-5-methyl-6-nitro-1H-benzimidazole
CID 137189736
6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide
CID 103145316

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine (CID 131031894) is 5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine is Cc1cc(Cl)nc2c([N+](=O)[O-])c[nH]c12.
What is the InChIKey of 5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is WKVDIBZGMHIARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c1-4-2-6(9)11-8-5(12(13)14)3-10-7(4)8/h2-3,10H,1H3.
What are the key properties of 5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine?
5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 211.61 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 131031894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).