2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile

C13H8Cl2N2 — CID 133094455

IUPAC2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cncc(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl2N2/c14-11-1-2-12(13(15)6-11)10-5-9(3-4-16)7-17-8-10/h1-2,5-8H,3H2
InChIKeyAMNFGHWJQIHRKG-UHFFFAOYSA-N
MW263.13 g/mol
LogP4.12
Rot. Bonds2

About 2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile

2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile (PubChem CID 133094455) has the molecular formula C13H8Cl2N2 and a molecular weight of 263.13 g/mol. Its IUPAC name is 2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile
PubChem CID133094455
Molecular FormulaC13H8Cl2N2
Molecular Weight263.13 g/mol
Exact Mass262.01
IUPAC Name2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cncc(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H8Cl2N2/c14-11-1-2-12(13(15)6-11)10-5-9(3-4-16)7-17-8-10/h1-2,5-8H,3H2
InChIKeyAMNFGHWJQIHRKG-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-5-(2,4-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094476
2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 133094509
[5-(4-chloro-2-fluorophenyl)-3-pyridinyl]methanamine
CID 71301575
2-[3-(2,5-dichlorophenyl)-5-fluoro-4-pyridinyl]acetonitrile
CID 133094533
2-[5-(2,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 133093069
2-[5-(3-fluorophenyl)-3-pyridinyl]acetonitrile
CID 131869822
3-(2,4-dichlorophenyl)pyridine-4-carbonitrile
CID 133095084
2-[1-(2,4-dichlorophenyl)pyrazol-4-yl]acetonitrile
CID 118153261
2-[6-amino-3-(2,5-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094542
2-[2-(2,4-dichlorophenyl)-6-fluorophenyl]acetonitrile
CID 118818713
2-[2-(2,4-dichlorophenyl)-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118847565
2-[2-(2,4-dichlorophenyl)-4-ethyl-1,3-thiazol-5-yl]acetonitrile
CID 82430143

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile (CID 133094455) is 2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile is N#CCc1cncc(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile?
The InChIKey is AMNFGHWJQIHRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2/c14-11-1-2-12(13(15)6-11)10-5-9(3-4-16)7-17-8-10/h1-2,5-8H,3H2.
What are the key properties of 2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile?
2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile has a molecular weight of 263.13 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dichlorophenyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 133094455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).