6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile

C12H13N3O2 — CID 146481730

IUPAC6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile
SMILESCc1cc(N2CC(C=O)CC2O)ncc1C#N
InChIInChI=1S/C12H13N3O2/c1-8-2-11(14-5-10(8)4-13)15-6-9(7-16)3-12(15)17/h2,5,7,9,12,17H,3,6H2,1H3
InChIKeyNBSCWPOGRJSRLY-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.61
Rot. Bonds2

About 6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile

6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile (PubChem CID 146481730) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile
PubChem CID146481730
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile
SMILESCc1cc(N2CC(C=O)CC2O)ncc1C#N
InChIInChI=1S/C12H13N3O2/c1-8-2-11(14-5-10(8)4-13)15-6-9(7-16)3-12(15)17/h2,5,7,9,12,17H,3,6H2,1H3
InChIKeyNBSCWPOGRJSRLY-UHFFFAOYSA-N
XLogP0.61
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(4-formyltriazol-1-yl)-4-methylpyridine-3-carbonitrile
CID 134523949
6-formyl-4-methylpyridine-3-carbonitrile
CID 131440294
6-(4-acetyltriazol-2-yl)-4-methylpyridine-3-carbonitrile
CID 134523645
6-[4-(hydroxymethyl)-5-methyltriazol-2-yl]-4-methylpyridine-3-carbonitrile
CID 134523720
6-(3,4-dimethyl-2-methylideneimidazol-1-yl)-4-methylpyridine-3-carbonitrile
CID 166906107
6-[4-(2-hydroxyethyl)pyrazol-1-yl]-4-methylpyridine-3-carbonitrile
CID 134531443
1-(5-cyano-4-methyl-2-pyridinyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 155951687
methyl 3-(5-cyano-4-methyl-2-pyridinyl)-2-oxo-1H-imidazole-5-carboxylate
CID 134523808
6-[4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-5,5-dimethyl-6H-pyrrolo[2,3-d]pyrimidin-7-yl]-4-methylpyridine-3-carbonitrile
CID 178052440
CID 175289623
CID 175289623
4-methyl-6-(2-methyl-4H-imidazol-5-yl)pyridine-3-carbonitrile
CID 166906275
6-[4-(7-chloro-2,3-dihydro-1,4-benzoxazine-4-carbonyl)piperazin-1-yl]-4-methylpyridine-3-carbonitrile
CID 138460592

Frequently Asked Questions

What is the IUPAC name of 6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile (CID 146481730) is 6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile is Cc1cc(N2CC(C=O)CC2O)ncc1C#N.
What is the InChIKey of 6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile?
The InChIKey is NBSCWPOGRJSRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-2-11(14-5-10(8)4-13)15-6-9(7-16)3-12(15)17/h2,5,7,9,12,17H,3,6H2,1H3.
What are the key properties of 6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile?
6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile has a molecular weight of 231.25 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-formyl-2-hydroxypyrrolidin-1-yl)-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 146481730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).