4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile

C9H8Cl2N2O2 — CID 171900710

IUPAC4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile
SMILESN#CCC(O)C(O)c1c(Cl)cncc1Cl
InChIInChI=1S/C9H8Cl2N2O2/c10-5-3-13-4-6(11)8(5)9(15)7(14)1-2-12/h3-4,7,9,14-15H,1H2
InChIKeyKZOWTDSWVUDVDA-UHFFFAOYSA-N
MW247.08 g/mol
LogP1.70
Rot. Bonds3

About 4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile

4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile (PubChem CID 171900710) has the molecular formula C9H8Cl2N2O2 and a molecular weight of 247.08 g/mol. Its IUPAC name is 4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile.

Molecular Properties

Compound Name4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile
PubChem CID171900710
Molecular FormulaC9H8Cl2N2O2
Molecular Weight247.08 g/mol
Exact Mass246.00
IUPAC Name4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile
SMILESN#CCC(O)C(O)c1c(Cl)cncc1Cl
InChIInChI=1S/C9H8Cl2N2O2/c10-5-3-13-4-6(11)8(5)9(15)7(14)1-2-12/h3-4,7,9,14-15H,1H2
InChIKeyKZOWTDSWVUDVDA-UHFFFAOYSA-N
XLogP1.70
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile 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

4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutanenitrile
CID 171900532
4-(5-chloro-6-fluoro-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900712
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171900618
4-(5-bromo-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171902022
4-(3-chloro-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900436
4-(3,5-dichloro-4-fluorophenyl)-3,4-dihydroxybutanenitrile
CID 171900790
4-(5-chloro-6-methoxy-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171901068
4-(2-chloro-6-nitrophenyl)-3,4-dihydroxybutanenitrile
CID 171901415
4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900665
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901054
2-chloro-4-(3-cyano-1,2-dihydroxypropyl)benzonitrile
CID 171900994
4-[4-chloro-3-(hydroxymethyl)phenyl]-3,4-dihydroxybutanenitrile
CID 171900866

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile?
The IUPAC name of 4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile (CID 171900710) is 4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile.
What is the SMILES notation for 4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile?
The canonical SMILES for 4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile is N#CCC(O)C(O)c1c(Cl)cncc1Cl.
What is the InChIKey of 4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile?
The InChIKey is KZOWTDSWVUDVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O2/c10-5-3-13-4-6(11)8(5)9(15)7(14)1-2-12/h3-4,7,9,14-15H,1H2.
What are the key properties of 4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile?
4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile has a molecular weight of 247.08 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-4-pyridinyl)-3,4-dihydroxybutanenitrile is sourced from PubChem (CID 171900710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).