5-bromo-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile

C11H11BrN2O — CID 130428868

IUPAC5-bromo-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile
SMILESCC1(O)CC(c2ncc(Br)cc2C#N)C1
InChIInChI=1S/C11H11BrN2O/c1-11(15)3-8(4-11)10-7(5-13)2-9(12)6-14-10/h2,6,8,15H,3-4H2,1H3
InChIKeyZFJBDMCTRHOULG-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.34
Rot. Bonds1

About 5-bromo-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile

5-bromo-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile (PubChem CID 130428868) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-bromo-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile
PubChem CID130428868
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name5-bromo-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile
SMILESCC1(O)CC(c2ncc(Br)cc2C#N)C1
InChIInChI=1S/C11H11BrN2O/c1-11(15)3-8(4-11)10-7(5-13)2-9(12)6-14-10/h2,6,8,15H,3-4H2,1H3
InChIKeyZFJBDMCTRHOULG-UHFFFAOYSA-N
XLogP2.34
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile (CID 130428868) is 5-bromo-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile is CC1(O)CC(c2ncc(Br)cc2C#N)C1.
What is the InChIKey of 5-bromo-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile?
The InChIKey is ZFJBDMCTRHOULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-11(15)3-8(4-11)10-7(5-13)2-9(12)6-14-10/h2,6,8,15H,3-4H2,1H3.
What are the key properties of 5-bromo-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile?
5-bromo-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile has a molecular weight of 267.13 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-hydroxy-3-methylcyclobutyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130428868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).