5-(1,2-dihydroxypropyl)pyridine-2-carbonitrile

C9H10N2O2 — CID 10219664

IUPAC5-(1,2-dihydroxypropyl)pyridine-2-carbonitrile
SMILESCC(O)C(O)c1ccc(C#N)nc1
InChIInChI=1S/C9H10N2O2/c1-6(12)9(13)7-2-3-8(4-10)11-5-7/h2-3,5-6,9,12-13H,1H3
InChIKeyZMGBIWMOJVBABF-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.37
Rot. Bonds2

About 5-(1,2-dihydroxypropyl)pyridine-2-carbonitrile

5-(1,2-dihydroxypropyl)pyridine-2-carbonitrile (PubChem CID 10219664) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-(1,2-dihydroxypropyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(1,2-dihydroxypropyl)pyridine-2-carbonitrile
PubChem CID10219664
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name5-(1,2-dihydroxypropyl)pyridine-2-carbonitrile
SMILESCC(O)C(O)c1ccc(C#N)nc1
InChIInChI=1S/C9H10N2O2/c1-6(12)9(13)7-2-3-8(4-10)11-5-7/h2-3,5-6,9,12-13H,1H3
InChIKeyZMGBIWMOJVBABF-UHFFFAOYSA-N
XLogP0.37
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydroxypropyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(1,2-dihydroxypropyl)pyridine-2-carbonitrile (CID 10219664) is 5-(1,2-dihydroxypropyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(1,2-dihydroxypropyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(1,2-dihydroxypropyl)pyridine-2-carbonitrile is CC(O)C(O)c1ccc(C#N)nc1.
What is the InChIKey of 5-(1,2-dihydroxypropyl)pyridine-2-carbonitrile?
The InChIKey is ZMGBIWMOJVBABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6(12)9(13)7-2-3-8(4-10)11-5-7/h2-3,5-6,9,12-13H,1H3.
What are the key properties of 5-(1,2-dihydroxypropyl)pyridine-2-carbonitrile?
5-(1,2-dihydroxypropyl)pyridine-2-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydroxypropyl)pyridine-2-carbonitrile is sourced from PubChem (CID 10219664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).