3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile

C10H9BrN2O — CID 172993518

IUPAC3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C2CCOC2)ccc1Br
InChIInChI=1S/C10H9BrN2O/c11-8-1-2-9(13-10(8)5-12)7-3-4-14-6-7/h1-2,7H,3-4,6H2
InChIKeyDKULIKIZJRKVJQ-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.22
Rot. Bonds1

About 3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile

3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile (PubChem CID 172993518) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is 3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile
PubChem CID172993518
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile
SMILESN#Cc1nc(C2CCOC2)ccc1Br
InChIInChI=1S/C10H9BrN2O/c11-8-1-2-9(13-10(8)5-12)7-3-4-14-6-7/h1-2,7H,3-4,6H2
InChIKeyDKULIKIZJRKVJQ-UHFFFAOYSA-N
XLogP2.22
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-(oxolan-3-yl)-1,3-thiazole
CID 104756423
6-(oxetan-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
CID 172644147
2-methoxy-6-(oxan-3-yl)pyridine-3-carbonitrile
CID 115030634
4-bromo-1-(oxan-4-yl)pyrazole-3-carbonitrile
CID 170965442
5-bromo-2-(oxolan-3-yl)imidazo[1,2-a]pyridine
CID 117131122
6-amino-3-bromopyridine-2-carbonitrile
CID 53402956
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine
CID 105469286
3-(oxolan-3-yl)-1,2-oxazole
CID 114763668
[4-(oxolan-3-yl)pyrimidin-2-yl]methanamine;hydrochloride
CID 105469285
(3R)-3-(4-bromophenyl)oxolane
CID 95731213
2-cyano-6-cyclopropylpyridine-3-carboxylic acid
CID 168979963
2-iodo-4-(oxolan-3-yl)-1,3-oxazole
CID 102974663

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile?
The IUPAC name of 3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile (CID 172993518) is 3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile?
The canonical SMILES for 3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile is N#Cc1nc(C2CCOC2)ccc1Br.
What is the InChIKey of 3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile?
The InChIKey is DKULIKIZJRKVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c11-8-1-2-9(13-10(8)5-12)7-3-4-14-6-7/h1-2,7H,3-4,6H2.
What are the key properties of 3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile?
3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile has a molecular weight of 253.10 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(oxolan-3-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 172993518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).