2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile

C12H5Cl3N2 — CID 133094822

IUPAC2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2cc(Cl)ccc2Cl)cnc1Cl
InChIInChI=1S/C12H5Cl3N2/c13-9-1-2-11(14)10(4-9)8-3-7(5-16)12(15)17-6-8/h1-4,6H
InChIKeyNSRWIWRSRVBXSC-UHFFFAOYSA-N
MW283.55 g/mol
LogP4.58
Rot. Bonds1

About 2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile

2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile (PubChem CID 133094822) has the molecular formula C12H5Cl3N2 and a molecular weight of 283.55 g/mol. Its IUPAC name is 2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile
PubChem CID133094822
Molecular FormulaC12H5Cl3N2
Molecular Weight283.55 g/mol
Exact Mass281.95
IUPAC Name2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2cc(Cl)ccc2Cl)cnc1Cl
InChIInChI=1S/C12H5Cl3N2/c13-9-1-2-11(14)10(4-9)8-3-7(5-16)12(15)17-6-8/h1-4,6H
InChIKeyNSRWIWRSRVBXSC-UHFFFAOYSA-N
XLogP4.58
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.55
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5-bis(2,5-dichlorophenyl)pyridine-2-carbonitrile
CID 133095168
2-chloro-5-(3,4,5-trichlorophenyl)pyridine-3-carbonitrile
CID 118994258
2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile
CID 82122908
2-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 118998520
5-(6-amino-3-pyridinyl)-2-chloropyridine-3-carbonitrile
CID 171351160
2-chloro-5-(2,6-dimethyl-4-pyridinyl)pyridine-3-carbonitrile
CID 20517022
2-chloro-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 82120608
2-[5-(2,5-dichlorophenyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 133094539
2-chloro-5-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 72711592
5-(4-chlorophenyl)-2-methylpyridine-3-carbonitrile
CID 13079832
2-chloro-5-(trichloromethyl)pyridine-3-carbonitrile
CID 5077889
2-chloro-5-ethylpyridine-3-carbonitrile
CID 14569539

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile (CID 133094822) is 2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile is N#Cc1cc(-c2cc(Cl)ccc2Cl)cnc1Cl.
What is the InChIKey of 2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile?
The InChIKey is NSRWIWRSRVBXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3N2/c13-9-1-2-11(14)10(4-9)8-3-7(5-16)12(15)17-6-8/h1-4,6H.
What are the key properties of 2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile?
2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile has a molecular weight of 283.55 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,5-dichlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 133094822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).