6-methoxy-3-nitro-2-pyrrol-1-ylpyridine

C10H9N3O3 — CID 10560813

IUPAC6-methoxy-3-nitro-2-pyrrol-1-ylpyridine
SMILESCOc1ccc([N+](=O)[O-])c(-n2cccc2)n1
InChIInChI=1S/C10H9N3O3/c1-16-9-5-4-8(13(14)15)10(11-9)12-6-2-3-7-12/h2-7H,1H3
InChIKeyNRBHEFUHIDJZOH-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.79
Rot. Bonds3

About 6-methoxy-3-nitro-2-pyrrol-1-ylpyridine

6-methoxy-3-nitro-2-pyrrol-1-ylpyridine (PubChem CID 10560813) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 6-methoxy-3-nitro-2-pyrrol-1-ylpyridine.

Molecular Properties

Compound Name6-methoxy-3-nitro-2-pyrrol-1-ylpyridine
PubChem CID10560813
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name6-methoxy-3-nitro-2-pyrrol-1-ylpyridine
SMILESCOc1ccc([N+](=O)[O-])c(-n2cccc2)n1
InChIInChI=1S/C10H9N3O3/c1-16-9-5-4-8(13(14)15)10(11-9)12-6-2-3-7-12/h2-7H,1H3
InChIKeyNRBHEFUHIDJZOH-UHFFFAOYSA-N
XLogP1.79
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine
CID 113287000
6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine
CID 115323542
1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 80703735
CID 157299402
CID 157299402
1-(6-methoxy-3-nitro-2-pyridinyl)-1,4-diazepane
CID 113286359
6-methoxy-3-nitro-2-propan-2-ylpyridine
CID 146296357
6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine
CID 53407025
1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine
CID 115323328
1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 2826405
1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine
CID 115323244
1-(3-chloropropyl)-4-(6-methoxy-3-nitro-2-pyridinyl)piperazine
CID 110184367
(2R,5S)-4-(6-methoxy-3-nitro-2-pyridinyl)-2,5-dimethylpiperazine-1-carboxylic acid
CID 170154877

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-2-pyrrol-1-ylpyridine?
The IUPAC name of 6-methoxy-3-nitro-2-pyrrol-1-ylpyridine (CID 10560813) is 6-methoxy-3-nitro-2-pyrrol-1-ylpyridine.
What is the SMILES notation for 6-methoxy-3-nitro-2-pyrrol-1-ylpyridine?
The canonical SMILES for 6-methoxy-3-nitro-2-pyrrol-1-ylpyridine is COc1ccc([N+](=O)[O-])c(-n2cccc2)n1.
What is the InChIKey of 6-methoxy-3-nitro-2-pyrrol-1-ylpyridine?
The InChIKey is NRBHEFUHIDJZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-16-9-5-4-8(13(14)15)10(11-9)12-6-2-3-7-12/h2-7H,1H3.
What are the key properties of 6-methoxy-3-nitro-2-pyrrol-1-ylpyridine?
6-methoxy-3-nitro-2-pyrrol-1-ylpyridine has a molecular weight of 219.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-nitro-2-pyrrol-1-ylpyridine is sourced from PubChem (CID 10560813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).