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

C8H6ClN3O2 — CID 126970309

IUPAC4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2ncc([N+](=O)[O-])c(Cl)c12
InChIInChI=1S/C8H6ClN3O2/c1-4-2-10-8-6(4)7(9)5(3-11-8)12(13)14/h2-3H,1H3,(H,10,11)
InChIKeyDSFUDLWLGUPYPH-UHFFFAOYSA-N
MW211.61 g/mol
LogP2.43
Rot. Bonds1

About 4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine

4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 126970309) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is 4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine
PubChem CID126970309
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC Name4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2ncc([N+](=O)[O-])c(Cl)c12
InChIInChI=1S/C8H6ClN3O2/c1-4-2-10-8-6(4)7(9)5(3-11-8)12(13)14/h2-3H,1H3,(H,10,11)
InChIKeyDSFUDLWLGUPYPH-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine
CID 53412730
4,5,7-trichloro-6-fluoro-3-nitroquinoline
CID 107577340
5,8-dibromo-4-chloro-3-nitroquinoline
CID 102614186
4-chloro-3-ethenyl-N-methyl-5-nitropyridin-2-amine
CID 176971983
2-chloro-3-fluoro-4-methyl-5-nitropyridine
CID 151225607
6-bromo-4-chloro-5,8-difluoro-3-nitroquinoline
CID 107615385
4-chloro-8-methyl-3-nitro-1,7-naphthyridine
CID 103416471
4-chloro-6-methyl-3-nitro-1,7-naphthyridine
CID 167583843
4-methyl-3-nitro-1H-pyrrolo[2,3-c]pyridine
CID 53412895
4-chloro-3-nitroquinoline;ethane
CID 90799881
N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine
CID 161075001
3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine
CID 24729572

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine (CID 126970309) is 4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine is Cc1c[nH]c2ncc([N+](=O)[O-])c(Cl)c12.
What is the InChIKey of 4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is DSFUDLWLGUPYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c1-4-2-10-8-6(4)7(9)5(3-11-8)12(13)14/h2-3H,1H3,(H,10,11).
What are the key properties of 4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine?
4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-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 4-chloro-3-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 126970309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).