2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile

C9H10N2O3 — CID 12529033

IUPAC2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1OCC(O)CO
InChIInChI=1S/C9H10N2O3/c10-4-7-2-1-3-11-9(7)14-6-8(13)5-12/h1-3,8,12-13H,5-6H2
InChIKeyQQYMMUCTBIRPQK-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.31
Rot. Bonds4

About 2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile

2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile (PubChem CID 12529033) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile
PubChem CID12529033
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1OCC(O)CO
InChIInChI=1S/C9H10N2O3/c10-4-7-2-1-3-11-9(7)14-6-8(13)5-12/h1-3,8,12-13H,5-6H2
InChIKeyQQYMMUCTBIRPQK-UHFFFAOYSA-N
XLogP-0.31
TPSA86.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-hydroxy-3-[(2-methyl-4-phenylbutan-2-yl)amino]propoxy]pyridine-3-carbonitrile
CID 13030669
2-(2,3-dihydroxypropoxy)pyridine-3-sulfonamide
CID 86115167
2-phenylmethoxypyridine-3-carbonitrile
CID 12604511
2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile
CID 57162620
2-[3-[(2S)-3-hydroxy-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenoxy]pyridine-3-carbonitrile
CID 57144622
2-hexoxypyridine-3-carbonitrile
CID 29001326
2-(2-amino-2-methylpropoxy)pyridine-3-carbonitrile
CID 64538428
2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile
CID 66231573
2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]pyridine-3-carbonitrile
CID 154094807
3-[(2-bromo-3-pyridinyl)oxy]propane-1,2-diol
CID 20607341
ethyl 2-[(3-cyano-2-pyridinyl)oxy]acetate
CID 134128969
2-[3-(2,3-dihydroxypropylamino)-2-hydroxypropoxy]benzonitrile
CID 66170152

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile?
The IUPAC name of 2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile (CID 12529033) is 2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile is N#Cc1cccnc1OCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile?
The InChIKey is QQYMMUCTBIRPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c10-4-7-2-1-3-11-9(7)14-6-8(13)5-12/h1-3,8,12-13H,5-6H2.
What are the key properties of 2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile?
2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile has a molecular weight of 194.19 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 12529033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).