3-[2-[(2R)-azetidin-2-yl]pyrrol-1-yl]pyridine

C12H13N3 — CID 55263851

IUPAC3-[2-[(2R)-azetidin-2-yl]pyrrol-1-yl]pyridine
SMILESc1cncc(-n2cccc2[C@H]2CCN2)c1
InChIInChI=1S/C12H13N3/c1-3-10(9-13-6-1)15-8-2-4-12(15)11-5-7-14-11/h1-4,6,8-9,11,14H,5,7H2/t11-/m1/s1
InChIKeyVHDDQJONGGGRRO-LLVKDONJSA-N
MW199.26 g/mol
LogP1.91
Rot. Bonds2

About 3-[2-[(2R)-azetidin-2-yl]pyrrol-1-yl]pyridine

3-[2-[(2R)-azetidin-2-yl]pyrrol-1-yl]pyridine (PubChem CID 55263851) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 3-[2-[(2R)-azetidin-2-yl]pyrrol-1-yl]pyridine.

Molecular Properties

Compound Name3-[2-[(2R)-azetidin-2-yl]pyrrol-1-yl]pyridine
PubChem CID55263851
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name3-[2-[(2R)-azetidin-2-yl]pyrrol-1-yl]pyridine
SMILESc1cncc(-n2cccc2[C@H]2CCN2)c1
InChIInChI=1S/C12H13N3/c1-3-10(9-13-6-1)15-8-2-4-12(15)11-5-7-14-11/h1-4,6,8-9,11,14H,5,7H2/t11-/m1/s1
InChIKeyVHDDQJONGGGRRO-LLVKDONJSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione
CID 100522604
3-(2-pyridin-4-ylpyrrol-1-yl)pyridine
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2-(3-pyridin-3-ylimidazol-4-yl)morpholine
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1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione
CID 133156281
(1R,6S)-3-pyridin-3-yl-3,8-diazabicyclo[4.2.0]octane
CID 10058322
(9aS)-2-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 50965676
3-(3-propan-2-ylpyrazolidin-1-yl)pyridine
CID 174792029
(3S,4S)-4-(4-fluorophenyl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-ol
CID 50985534
5-pyridin-3-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 91809542
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-azetidin-2-yl]pyrrol-1-yl]pyridine?
The IUPAC name of 3-[2-[(2R)-azetidin-2-yl]pyrrol-1-yl]pyridine (CID 55263851) is 3-[2-[(2R)-azetidin-2-yl]pyrrol-1-yl]pyridine.
What is the SMILES notation for 3-[2-[(2R)-azetidin-2-yl]pyrrol-1-yl]pyridine?
The canonical SMILES for 3-[2-[(2R)-azetidin-2-yl]pyrrol-1-yl]pyridine is c1cncc(-n2cccc2[C@H]2CCN2)c1.
What is the InChIKey of 3-[2-[(2R)-azetidin-2-yl]pyrrol-1-yl]pyridine?
The InChIKey is VHDDQJONGGGRRO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13N3/c1-3-10(9-13-6-1)15-8-2-4-12(15)11-5-7-14-11/h1-4,6,8-9,11,14H,5,7H2/t11-/m1/s1.
What are the key properties of 3-[2-[(2R)-azetidin-2-yl]pyrrol-1-yl]pyridine?
3-[2-[(2R)-azetidin-2-yl]pyrrol-1-yl]pyridine has a molecular weight of 199.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-azetidin-2-yl]pyrrol-1-yl]pyridine is sourced from PubChem (CID 55263851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).