2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile

C11H13N3O — CID 104969574

IUPAC2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CC[C@@H](O)C2)n1
InChIInChI=1S/C11H13N3O/c1-8-4-9(6-12)5-11(13-8)14-3-2-10(15)7-14/h4-5,10,15H,2-3,7H2,1H3/t10-/m1/s1
InChIKeyFRLITLNAMRAJJB-SNVBAGLBSA-N
MW203.25 g/mol
LogP0.83
Rot. Bonds1

About 2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile

2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile (PubChem CID 104969574) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
PubChem CID104969574
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CC[C@@H](O)C2)n1
InChIInChI=1S/C11H13N3O/c1-8-4-9(6-12)5-11(13-8)14-3-2-10(15)7-14/h4-5,10,15H,2-3,7H2,1H3/t10-/m1/s1
InChIKeyFRLITLNAMRAJJB-SNVBAGLBSA-N
XLogP0.83
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 114765932
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 114766561
(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 167833801
2-[1-(4-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl]acetic acid
CID 114765472
N-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]acetamide
CID 114766577
2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 114765410
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 107552935
2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114770482
2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 114766521
1-(6-hydrazinyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80919413
2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile
CID 114766685
2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 114765581

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile (CID 104969574) is 2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(N2CC[C@@H](O)C2)n1.
What is the InChIKey of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile?
The InChIKey is FRLITLNAMRAJJB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-4-9(6-12)5-11(13-8)14-3-2-10(15)7-14/h4-5,10,15H,2-3,7H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile?
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 104969574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).