6-[3-(hydroxymethyl)azetidin-1-yl]-3-methylpyridine-2-carbonitrile

C11H13N3O — CID 136536135

IUPAC6-[3-(hydroxymethyl)azetidin-1-yl]-3-methylpyridine-2-carbonitrile
SMILESCc1ccc(N2CC(CO)C2)nc1C#N
InChIInChI=1S/C11H13N3O/c1-8-2-3-11(13-10(8)4-12)14-5-9(6-14)7-15/h2-3,9,15H,5-7H2,1H3
InChIKeyUOZFVDAOXAAMKI-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.69
Rot. Bonds2

About 6-[3-(hydroxymethyl)azetidin-1-yl]-3-methylpyridine-2-carbonitrile

6-[3-(hydroxymethyl)azetidin-1-yl]-3-methylpyridine-2-carbonitrile (PubChem CID 136536135) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 6-[3-(hydroxymethyl)azetidin-1-yl]-3-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-(hydroxymethyl)azetidin-1-yl]-3-methylpyridine-2-carbonitrile
PubChem CID136536135
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name6-[3-(hydroxymethyl)azetidin-1-yl]-3-methylpyridine-2-carbonitrile
SMILESCc1ccc(N2CC(CO)C2)nc1C#N
InChIInChI=1S/C11H13N3O/c1-8-2-3-11(13-10(8)4-12)14-5-9(6-14)7-15/h2-3,9,15H,5-7H2,1H3
InChIKeyUOZFVDAOXAAMKI-UHFFFAOYSA-N
XLogP0.69
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(hydroxymethyl)azetidin-1-yl]-3-methylpyridine-2-carbonitrile?
The IUPAC name of 6-[3-(hydroxymethyl)azetidin-1-yl]-3-methylpyridine-2-carbonitrile (CID 136536135) is 6-[3-(hydroxymethyl)azetidin-1-yl]-3-methylpyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-(hydroxymethyl)azetidin-1-yl]-3-methylpyridine-2-carbonitrile?
The canonical SMILES for 6-[3-(hydroxymethyl)azetidin-1-yl]-3-methylpyridine-2-carbonitrile is Cc1ccc(N2CC(CO)C2)nc1C#N.
What is the InChIKey of 6-[3-(hydroxymethyl)azetidin-1-yl]-3-methylpyridine-2-carbonitrile?
The InChIKey is UOZFVDAOXAAMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-2-3-11(13-10(8)4-12)14-5-9(6-14)7-15/h2-3,9,15H,5-7H2,1H3.
What are the key properties of 6-[3-(hydroxymethyl)azetidin-1-yl]-3-methylpyridine-2-carbonitrile?
6-[3-(hydroxymethyl)azetidin-1-yl]-3-methylpyridine-2-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(hydroxymethyl)azetidin-1-yl]-3-methylpyridine-2-carbonitrile is sourced from PubChem (CID 136536135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).