6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile

C12H15N3O2 — CID 128975814

IUPAC6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESCO[C@H]1C[C@@H](CO)N(c2cccc(C#N)n2)C1
InChIInChI=1S/C12H15N3O2/c1-17-11-5-10(8-16)15(7-11)12-4-2-3-9(6-13)14-12/h2-4,10-11,16H,5,7-8H2,1H3/t10-,11-/m0/s1
InChIKeyFFZXOEYYCOXBHO-QWRGUYRKSA-N
MW233.27 g/mol
LogP0.54
Rot. Bonds3

About 6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile

6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile (PubChem CID 128975814) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile
PubChem CID128975814
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESCO[C@H]1C[C@@H](CO)N(c2cccc(C#N)n2)C1
InChIInChI=1S/C12H15N3O2/c1-17-11-5-10(8-16)15(7-11)12-4-2-3-9(6-13)14-12/h2-4,10-11,16H,5,7-8H2,1H3/t10-,11-/m0/s1
InChIKeyFFZXOEYYCOXBHO-QWRGUYRKSA-N
XLogP0.54
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-cyano-2-pyridinyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 64588741
4-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 128978115
2-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-4-carbonitrile
CID 128978208
[(2S,4R)-1-(7-fluoroquinolin-2-yl)-4-methoxypyrrolidin-2-yl]methanol
CID 128978432
6-(2,5-diethylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64978952
2-[4-[[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methyl]phenyl]benzonitrile
CID 167966270
[(2S,4R)-4-methoxy-1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]pyrrolidin-2-yl]methanol
CID 138033552
[(2S,4R)-1-(5-bromopyrimidin-2-yl)-4-methoxypyrrolidin-2-yl]methanol
CID 128970907
[(2S,4S)-4-methoxy-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-yl]methanol
CID 128975816
2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128978159
[(2S,4R)-1-(3-bromo-4-methyl-2-pyridinyl)-4-methoxypyrrolidin-2-yl]methanol
CID 128978209
6-[(2S)-2,4-dimethylpiperazin-1-yl]pyridine-2-carbonitrile
CID 150768660

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile (CID 128975814) is 6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile is CO[C@H]1C[C@@H](CO)N(c2cccc(C#N)n2)C1.
What is the InChIKey of 6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is FFZXOEYYCOXBHO-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-17-11-5-10(8-16)15(7-11)12-4-2-3-9(6-13)14-12/h2-4,10-11,16H,5,7-8H2,1H3/t10-,11-/m0/s1.
What are the key properties of 6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile?
6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 128975814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).