7-isocyano-4,6-dimethylfuro[3,2-c]pyridine

C10H8N2O — CID 176758490

IUPAC7-isocyano-4,6-dimethylfuro[3,2-c]pyridine
SMILES[C-]#[N+]c1c(C)nc(C)c2ccoc12
InChIInChI=1S/C10H8N2O/c1-6-8-4-5-13-10(8)9(11-3)7(2)12-6/h4-5H,1-2H3
InChIKeyKRWXIEJOXLABTG-UHFFFAOYSA-N
MW172.19 g/mol
LogP3.00
Rot. Bonds

About 7-isocyano-4,6-dimethylfuro[3,2-c]pyridine

7-isocyano-4,6-dimethylfuro[3,2-c]pyridine (PubChem CID 176758490) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 7-isocyano-4,6-dimethylfuro[3,2-c]pyridine.

Molecular Properties

Compound Name7-isocyano-4,6-dimethylfuro[3,2-c]pyridine
PubChem CID176758490
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name7-isocyano-4,6-dimethylfuro[3,2-c]pyridine
SMILES[C-]#[N+]c1c(C)nc(C)c2ccoc12
InChIInChI=1S/C10H8N2O/c1-6-8-4-5-13-10(8)9(11-3)7(2)12-6/h4-5H,1-2H3
InChIKeyKRWXIEJOXLABTG-UHFFFAOYSA-N
XLogP3.00
TPSA30.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-6-methylfuro(3,2-c)pyridine
CID 12237184
6-Methylfuro[2,3-b]pyridine
CID 56972636
Furo[3,2-b]pyridine-5-methanamine
CID 10630663
4-Propylfuro[3,2-c]pyridine
CID 10797062
7-Methyl-4,5-diphenylfuro[2,3-c]pyridine
CID 44606944
Furanopyridoanthrone
CID 129800280
5-Fluoro-3,7-dimethylfuro[3,2-b]pyridine
CID 170585039
Ethyl 4-ethenylfuro[3,2-c]pyridine-6-carboxylate
CID 5323740
5-Methylfuro[3,2-b]pyridine
CID 12210219
5,6-Dimethylfuro[2,3-b]pyridine
CID 13545743
6-(Dimethylaminomethyl)furo[3,2-c]pyridine
CID 14372150
5,7-Dimethylfuro[2,3-c]pyridine
CID 15256767

Frequently Asked Questions

What is the IUPAC name of 7-isocyano-4,6-dimethylfuro[3,2-c]pyridine?
The IUPAC name of 7-isocyano-4,6-dimethylfuro[3,2-c]pyridine (CID 176758490) is 7-isocyano-4,6-dimethylfuro[3,2-c]pyridine.
What is the SMILES notation for 7-isocyano-4,6-dimethylfuro[3,2-c]pyridine?
The canonical SMILES for 7-isocyano-4,6-dimethylfuro[3,2-c]pyridine is [C-]#[N+]c1c(C)nc(C)c2ccoc12.
What is the InChIKey of 7-isocyano-4,6-dimethylfuro[3,2-c]pyridine?
The InChIKey is KRWXIEJOXLABTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-6-8-4-5-13-10(8)9(11-3)7(2)12-6/h4-5H,1-2H3.
What are the key properties of 7-isocyano-4,6-dimethylfuro[3,2-c]pyridine?
7-isocyano-4,6-dimethylfuro[3,2-c]pyridine has a molecular weight of 172.19 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-isocyano-4,6-dimethylfuro[3,2-c]pyridine is sourced from PubChem (CID 176758490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).