4-bromo-5-[[(2R)-2,3-dihydroxypropyl]amino]furo[2,3-c]pyridine-2-carbonitrile

C11H10BrN3O3 — CID 172599555

IUPAC4-bromo-5-[[(2R)-2,3-dihydroxypropyl]amino]furo[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(Br)c(NC[C@@H](O)CO)ncc2o1
InChIInChI=1S/C11H10BrN3O3/c12-10-8-1-7(2-13)18-9(8)4-15-11(10)14-3-6(17)5-16/h1,4,6,16-17H,3,5H2,(H,14,15)/t6-/m1/s1
InChIKeyIYMBDBQLXPSOCH-ZCFIWIBFSA-N
MW312.12 g/mol
LogP1.23
Rot. Bonds4

About 4-bromo-5-[[(2R)-2,3-dihydroxypropyl]amino]furo[2,3-c]pyridine-2-carbonitrile

4-bromo-5-[[(2R)-2,3-dihydroxypropyl]amino]furo[2,3-c]pyridine-2-carbonitrile (PubChem CID 172599555) has the molecular formula C11H10BrN3O3 and a molecular weight of 312.12 g/mol. Its IUPAC name is 4-bromo-5-[[(2R)-2,3-dihydroxypropyl]amino]furo[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-bromo-5-[[(2R)-2,3-dihydroxypropyl]amino]furo[2,3-c]pyridine-2-carbonitrile
PubChem CID172599555
Molecular FormulaC11H10BrN3O3
Molecular Weight312.12 g/mol
Exact Mass310.99
IUPAC Name4-bromo-5-[[(2R)-2,3-dihydroxypropyl]amino]furo[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(Br)c(NC[C@@H](O)CO)ncc2o1
InChIInChI=1S/C11H10BrN3O3/c12-10-8-1-7(2-13)18-9(8)4-15-11(10)14-3-6(17)5-16/h1,4,6,16-17H,3,5H2,(H,14,15)/t6-/m1/s1
InChIKeyIYMBDBQLXPSOCH-ZCFIWIBFSA-N
XLogP1.23
TPSA102.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[[(2R)-2,3-dihydroxypropyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of 4-bromo-5-[[(2R)-2,3-dihydroxypropyl]amino]furo[2,3-c]pyridine-2-carbonitrile (CID 172599555) is 4-bromo-5-[[(2R)-2,3-dihydroxypropyl]amino]furo[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for 4-bromo-5-[[(2R)-2,3-dihydroxypropyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for 4-bromo-5-[[(2R)-2,3-dihydroxypropyl]amino]furo[2,3-c]pyridine-2-carbonitrile is N#Cc1cc2c(Br)c(NC[C@@H](O)CO)ncc2o1.
What is the InChIKey of 4-bromo-5-[[(2R)-2,3-dihydroxypropyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The InChIKey is IYMBDBQLXPSOCH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H10BrN3O3/c12-10-8-1-7(2-13)18-9(8)4-15-11(10)14-3-6(17)5-16/h1,4,6,16-17H,3,5H2,(H,14,15)/t6-/m1/s1.
What are the key properties of 4-bromo-5-[[(2R)-2,3-dihydroxypropyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
4-bromo-5-[[(2R)-2,3-dihydroxypropyl]amino]furo[2,3-c]pyridine-2-carbonitrile has a molecular weight of 312.12 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[[(2R)-2,3-dihydroxypropyl]amino]furo[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 172599555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).