2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile

C8H4ClF2IN2 — CID 130073242

IUPAC2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(I)c(Cl)c(C(F)F)n1
InChIInChI=1S/C8H4ClF2IN2/c9-6-5(12)3-4(1-2-13)14-7(6)8(10)11/h3,8H,1H2
InChIKeyLFNLQMQSOYUHJL-UHFFFAOYSA-N
MW328.49 g/mol
LogP3.34
Rot. Bonds2

About 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile

2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile (PubChem CID 130073242) has the molecular formula C8H4ClF2IN2 and a molecular weight of 328.49 g/mol. Its IUPAC name is 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
PubChem CID130073242
Molecular FormulaC8H4ClF2IN2
Molecular Weight328.49 g/mol
Exact Mass327.91
IUPAC Name2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
SMILESN#CCc1cc(I)c(Cl)c(C(F)F)n1
InChIInChI=1S/C8H4ClF2IN2/c9-6-5(12)3-4(1-2-13)14-7(6)8(10)11/h3,8H,1H2
InChIKeyLFNLQMQSOYUHJL-UHFFFAOYSA-N
XLogP3.34
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile 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-[5-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130071864
2-[4-chloro-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 118800127
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073205
2-[4-chloro-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 130071882
2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 118842860
2-[4-amino-5-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130107470
2-[6-bromo-2-(difluoromethyl)-5-iodo-3-pyridinyl]acetonitrile
CID 130068327
6-bromo-3-chloro-2-(difluoromethyl)-4-iodopyridine
CID 130107866
ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134685508
2-[4-(chloromethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134670584
2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130086873
2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile
CID 118837346

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile (CID 130073242) is 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile is N#CCc1cc(I)c(Cl)c(C(F)F)n1.
What is the InChIKey of 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile?
The InChIKey is LFNLQMQSOYUHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2IN2/c9-6-5(12)3-4(1-2-13)14-7(6)8(10)11/h3,8H,1H2.
What are the key properties of 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile?
2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile has a molecular weight of 328.49 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130073242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).