6-[4-(3-methyloxetan-3-yl)phenyl]pyridine-3-carbonitrile

C16H14N2O — CID 71817013

IUPAC6-[4-(3-methyloxetan-3-yl)phenyl]pyridine-3-carbonitrile
SMILESCC1(c2ccc(-c3ccc(C#N)cn3)cc2)COC1
InChIInChI=1S/C16H14N2O/c1-16(10-19-11-16)14-5-3-13(4-6-14)15-7-2-12(8-17)9-18-15/h2-7,9H,10-11H2,1H3
InChIKeyVXNMJIJBPHMKLS-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.91
Rot. Bonds2

About 6-[4-(3-methyloxetan-3-yl)phenyl]pyridine-3-carbonitrile

6-[4-(3-methyloxetan-3-yl)phenyl]pyridine-3-carbonitrile (PubChem CID 71817013) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-[4-(3-methyloxetan-3-yl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(3-methyloxetan-3-yl)phenyl]pyridine-3-carbonitrile
PubChem CID71817013
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name6-[4-(3-methyloxetan-3-yl)phenyl]pyridine-3-carbonitrile
SMILESCC1(c2ccc(-c3ccc(C#N)cn3)cc2)COC1
InChIInChI=1S/C16H14N2O/c1-16(10-19-11-16)14-5-3-13(4-6-14)15-7-2-12(8-17)9-18-15/h2-7,9H,10-11H2,1H3
InChIKeyVXNMJIJBPHMKLS-UHFFFAOYSA-N
XLogP2.91
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methyloxetan-3-yl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(3-methyloxetan-3-yl)phenyl]pyridine-3-carbonitrile (CID 71817013) is 6-[4-(3-methyloxetan-3-yl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(3-methyloxetan-3-yl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(3-methyloxetan-3-yl)phenyl]pyridine-3-carbonitrile is CC1(c2ccc(-c3ccc(C#N)cn3)cc2)COC1.
What is the InChIKey of 6-[4-(3-methyloxetan-3-yl)phenyl]pyridine-3-carbonitrile?
The InChIKey is VXNMJIJBPHMKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-16(10-19-11-16)14-5-3-13(4-6-14)15-7-2-12(8-17)9-18-15/h2-7,9H,10-11H2,1H3.
What are the key properties of 6-[4-(3-methyloxetan-3-yl)phenyl]pyridine-3-carbonitrile?
6-[4-(3-methyloxetan-3-yl)phenyl]pyridine-3-carbonitrile has a molecular weight of 250.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methyloxetan-3-yl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 71817013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).