1,3-dideuteriofuro[3,4-c]pyridine

C7H5NO — CID 175759394

IUPAC1,3-dideuteriofuro[3,4-c]pyridine
SMILES[2H]c1oc([2H])c2cnccc12
InChIInChI=1S/C7H5NO/c1-2-8-3-7-5-9-4-6(1)7/h1-5H/i4D,5D
InChIKeyQYNDTTJOWNQBII-KFRNQKGQSA-N
MW121.14 g/mol
LogP1.83
Rot. Bonds

About 1,3-dideuteriofuro[3,4-c]pyridine

1,3-dideuteriofuro[3,4-c]pyridine (PubChem CID 175759394) has the molecular formula C7H5NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 1,3-dideuteriofuro[3,4-c]pyridine.

Molecular Properties

Compound Name1,3-dideuteriofuro[3,4-c]pyridine
PubChem CID175759394
Molecular FormulaC7H5NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name1,3-dideuteriofuro[3,4-c]pyridine
SMILES[2H]c1oc([2H])c2cnccc12
InChIInChI=1S/C7H5NO/c1-2-8-3-7-5-9-4-6(1)7/h1-5H/i4D,5D
InChIKeyQYNDTTJOWNQBII-KFRNQKGQSA-N
XLogP1.83
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,9-phenanthroline
CID 23271029
3,8-phenanthroline
CID 13064691
fluoroboronic acid;isoquinoline
CID 172796468
ethane;isoquinoline;hydroiodide
CID 153349858
9-azaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene
CID 91751532
isoquinoline;1,3,5-triazine
CID 175198893
hydroxylamine;isoquinoline
CID 158472415
1,3-dihydrofuro[3,4-g]isoquinoline
CID 91665983
2-iodopyrazolo[3,4-c]pyridine
CID 167242438
6H-cyclopropa[g]isoquinoline
CID 142805400
dichloroiron;isoquinoline
CID 157065360
1-oxidopyrrolo[2,3-c]pyridine
CID 87757695

Frequently Asked Questions

What is the IUPAC name of 1,3-dideuteriofuro[3,4-c]pyridine?
The IUPAC name of 1,3-dideuteriofuro[3,4-c]pyridine (CID 175759394) is 1,3-dideuteriofuro[3,4-c]pyridine.
What is the SMILES notation for 1,3-dideuteriofuro[3,4-c]pyridine?
The canonical SMILES for 1,3-dideuteriofuro[3,4-c]pyridine is [2H]c1oc([2H])c2cnccc12.
What is the InChIKey of 1,3-dideuteriofuro[3,4-c]pyridine?
The InChIKey is QYNDTTJOWNQBII-KFRNQKGQSA-N. The full InChI is InChI=1S/C7H5NO/c1-2-8-3-7-5-9-4-6(1)7/h1-5H/i4D,5D.
What are the key properties of 1,3-dideuteriofuro[3,4-c]pyridine?
1,3-dideuteriofuro[3,4-c]pyridine has a molecular weight of 121.14 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dideuteriofuro[3,4-c]pyridine is sourced from PubChem (CID 175759394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).