5-(1-isocyanatocyclopropyl)furo[2,3-c]pyridine

C11H8N2O2 — CID 84775727

IUPAC5-(1-isocyanatocyclopropyl)furo[2,3-c]pyridine
SMILESO=C=NC1(c2cc3ccoc3cn2)CC1
InChIInChI=1S/C11H8N2O2/c14-7-13-11(2-3-11)10-5-8-1-4-15-9(8)6-12-10/h1,4-6H,2-3H2
InChIKeySQGUVIAUAWECGI-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.15
Rot. Bonds2

About 5-(1-isocyanatocyclopropyl)furo[2,3-c]pyridine

5-(1-isocyanatocyclopropyl)furo[2,3-c]pyridine (PubChem CID 84775727) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 5-(1-isocyanatocyclopropyl)furo[2,3-c]pyridine.

Molecular Properties

Compound Name5-(1-isocyanatocyclopropyl)furo[2,3-c]pyridine
PubChem CID84775727
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name5-(1-isocyanatocyclopropyl)furo[2,3-c]pyridine
SMILESO=C=NC1(c2cc3ccoc3cn2)CC1
InChIInChI=1S/C11H8N2O2/c14-7-13-11(2-3-11)10-5-8-1-4-15-9(8)6-12-10/h1,4-6H,2-3H2
InChIKeySQGUVIAUAWECGI-UHFFFAOYSA-N
XLogP2.15
TPSA55.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-7-(1-isocyanatocyclopentyl)-1-benzofuran
CID 117364547
6-fluoro-7-(1-isocyanatocyclopropyl)-1-benzofuran
CID 117308906
6-(1-isocyanatocyclopropyl)-1,2-benzoxazole
CID 117289145
2-furo[2,3-c]pyridin-5-yl-2-oxoacetamide
CID 171482687
2-amino-1-furo[2,3-c]pyridin-5-ylethanone
CID 84767089
furo[2,3-c]pyridin-5-ylmethyl acetate
CID 22047292
3-(1-isocyanatocyclopropyl)-1-benzofuran
CID 84775191
6-(1-isocyanatocyclopropyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84783799
4,6-difluoro-7-(1-isocyanatocyclopentyl)-1-benzofuran
CID 117411918
2-[(3R)-2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-1-furo[2,3-c]pyridin-5-ylethanone
CID 160643718
3-furo[2,3-c]pyridin-5-yl-2-methylpropanoic acid
CID 84778209
1,3-dichloro-2-(1-isocyanatocyclopropyl)benzene
CID 117046871

Frequently Asked Questions

What is the IUPAC name of 5-(1-isocyanatocyclopropyl)furo[2,3-c]pyridine?
The IUPAC name of 5-(1-isocyanatocyclopropyl)furo[2,3-c]pyridine (CID 84775727) is 5-(1-isocyanatocyclopropyl)furo[2,3-c]pyridine.
What is the SMILES notation for 5-(1-isocyanatocyclopropyl)furo[2,3-c]pyridine?
The canonical SMILES for 5-(1-isocyanatocyclopropyl)furo[2,3-c]pyridine is O=C=NC1(c2cc3ccoc3cn2)CC1.
What is the InChIKey of 5-(1-isocyanatocyclopropyl)furo[2,3-c]pyridine?
The InChIKey is SQGUVIAUAWECGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-7-13-11(2-3-11)10-5-8-1-4-15-9(8)6-12-10/h1,4-6H,2-3H2.
What are the key properties of 5-(1-isocyanatocyclopropyl)furo[2,3-c]pyridine?
5-(1-isocyanatocyclopropyl)furo[2,3-c]pyridine has a molecular weight of 200.20 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-isocyanatocyclopropyl)furo[2,3-c]pyridine is sourced from PubChem (CID 84775727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).