3-(furan-3-yl)-2-methyl-5-nitropyridine

C10H8N2O3 — CID 165009700

IUPAC3-(furan-3-yl)-2-methyl-5-nitropyridine
SMILESCc1ncc([N+](=O)[O-])cc1-c1ccoc1
InChIInChI=1S/C10H8N2O3/c1-7-10(8-2-3-15-6-8)4-9(5-11-7)12(13)14/h2-6H,1H3
InChIKeySGEFJGCVUYSBFD-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.56
Rot. Bonds2

About 3-(furan-3-yl)-2-methyl-5-nitropyridine

3-(furan-3-yl)-2-methyl-5-nitropyridine (PubChem CID 165009700) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-(furan-3-yl)-2-methyl-5-nitropyridine.

Molecular Properties

Compound Name3-(furan-3-yl)-2-methyl-5-nitropyridine
PubChem CID165009700
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name3-(furan-3-yl)-2-methyl-5-nitropyridine
SMILESCc1ncc([N+](=O)[O-])cc1-c1ccoc1
InChIInChI=1S/C10H8N2O3/c1-7-10(8-2-3-15-6-8)4-9(5-11-7)12(13)14/h2-6H,1H3
InChIKeySGEFJGCVUYSBFD-UHFFFAOYSA-N
XLogP2.56
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-2-methyl-5-nitropyridine?
The IUPAC name of 3-(furan-3-yl)-2-methyl-5-nitropyridine (CID 165009700) is 3-(furan-3-yl)-2-methyl-5-nitropyridine.
What is the SMILES notation for 3-(furan-3-yl)-2-methyl-5-nitropyridine?
The canonical SMILES for 3-(furan-3-yl)-2-methyl-5-nitropyridine is Cc1ncc([N+](=O)[O-])cc1-c1ccoc1.
What is the InChIKey of 3-(furan-3-yl)-2-methyl-5-nitropyridine?
The InChIKey is SGEFJGCVUYSBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-7-10(8-2-3-15-6-8)4-9(5-11-7)12(13)14/h2-6H,1H3.
What are the key properties of 3-(furan-3-yl)-2-methyl-5-nitropyridine?
3-(furan-3-yl)-2-methyl-5-nitropyridine has a molecular weight of 204.19 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-2-methyl-5-nitropyridine is sourced from PubChem (CID 165009700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).