3-bromofuro[2,3-b]pyridine-6-carbonitrile

C8H3BrN2O — CID 10822953

IUPAC3-bromofuro[2,3-b]pyridine-6-carbonitrile
SMILESN#Cc1ccc2c(Br)coc2n1
InChIInChI=1S/C8H3BrN2O/c9-7-4-12-8-6(7)2-1-5(3-10)11-8/h1-2,4H
InChIKeyDDQVRGMGTYMHMI-UHFFFAOYSA-N
MW223.03 g/mol
LogP2.46
Rot. Bonds

About 3-bromofuro[2,3-b]pyridine-6-carbonitrile

3-bromofuro[2,3-b]pyridine-6-carbonitrile (PubChem CID 10822953) has the molecular formula C8H3BrN2O and a molecular weight of 223.03 g/mol. Its IUPAC name is 3-bromofuro[2,3-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-bromofuro[2,3-b]pyridine-6-carbonitrile
PubChem CID10822953
Molecular FormulaC8H3BrN2O
Molecular Weight223.03 g/mol
Exact Mass221.94
IUPAC Name3-bromofuro[2,3-b]pyridine-6-carbonitrile
SMILESN#Cc1ccc2c(Br)coc2n1
InChIInChI=1S/C8H3BrN2O/c9-7-4-12-8-6(7)2-1-5(3-10)11-8/h1-2,4H
InChIKeyDDQVRGMGTYMHMI-UHFFFAOYSA-N
XLogP2.46
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.03
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-5-methylquinoline-2-carbonitrile
CID 102941349
6-amino-5-bromopyridine-2-carbonitrile
CID 55252878
5-bromo-2-chlorofuro[2,3-d]pyrimidine
CID 84697174
5-bromo-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 130748898
6,8-dibromoquinoline-2-carbonitrile
CID 102941313
5,8-difluoroquinoline-2-carbonitrile
CID 82241045
8-(4-trimethylgermyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine-2-carbonitrile
CID 170521520
2,4-diaminopyrido[2,3-d]pyrimidine-7-carbonitrile
CID 134986949
5-aminoquinoline-2-carbonitrile
CID 133061307
6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile
CID 133304804
5,6,7-trifluoroquinoline-2-carbonitrile
CID 102941305
8-(1,5-dimethyl-4-trimethylsilylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine-2-carbonitrile
CID 170530605

Frequently Asked Questions

What is the IUPAC name of 3-bromofuro[2,3-b]pyridine-6-carbonitrile?
The IUPAC name of 3-bromofuro[2,3-b]pyridine-6-carbonitrile (CID 10822953) is 3-bromofuro[2,3-b]pyridine-6-carbonitrile.
What is the SMILES notation for 3-bromofuro[2,3-b]pyridine-6-carbonitrile?
The canonical SMILES for 3-bromofuro[2,3-b]pyridine-6-carbonitrile is N#Cc1ccc2c(Br)coc2n1.
What is the InChIKey of 3-bromofuro[2,3-b]pyridine-6-carbonitrile?
The InChIKey is DDQVRGMGTYMHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrN2O/c9-7-4-12-8-6(7)2-1-5(3-10)11-8/h1-2,4H.
What are the key properties of 3-bromofuro[2,3-b]pyridine-6-carbonitrile?
3-bromofuro[2,3-b]pyridine-6-carbonitrile has a molecular weight of 223.03 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromofuro[2,3-b]pyridine-6-carbonitrile is sourced from PubChem (CID 10822953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).