(2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile

C13H8Cl2N2 — CID 26793141

IUPAC(2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile
SMILESN#C[C@@H](c1ccccc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2N2/c14-10-6-12(15)13(17-8-10)11(7-16)9-4-2-1-3-5-9/h1-6,8,11H/t11-/m0/s1
InChIKeyYNFBQANDJCQODQ-NSHDSACASA-N
MW263.13 g/mol
LogP4.04
Rot. Bonds2

About (2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile

(2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile (PubChem CID 26793141) has the molecular formula C13H8Cl2N2 and a molecular weight of 263.13 g/mol. Its IUPAC name is (2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile.

Molecular Properties

Compound Name(2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile
PubChem CID26793141
Molecular FormulaC13H8Cl2N2
Molecular Weight263.13 g/mol
Exact Mass262.01
IUPAC Name(2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile
SMILESN#C[C@@H](c1ccccc1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2N2/c14-10-6-12(15)13(17-8-10)11(7-16)9-4-2-1-3-5-9/h1-6,8,11H/t11-/m0/s1
InChIKeyYNFBQANDJCQODQ-NSHDSACASA-N
XLogP4.04
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile?
The IUPAC name of (2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile (CID 26793141) is (2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile.
What is the SMILES notation for (2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile?
The canonical SMILES for (2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile is N#C[C@@H](c1ccccc1)c1ncc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile?
The InChIKey is YNFBQANDJCQODQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H8Cl2N2/c14-10-6-12(15)13(17-8-10)11(7-16)9-4-2-1-3-5-9/h1-6,8,11H/t11-/m0/s1.
What are the key properties of (2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile?
(2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile has a molecular weight of 263.13 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile is sourced from PubChem (CID 26793141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).