2-[6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile

C8H5F2IN2 — CID 118848604

IUPAC2-[6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(C(F)F)cc1I
InChIInChI=1S/C8H5F2IN2/c9-8(10)7-3-6(11)5(1-2-12)4-13-7/h3-4,8H,1H2
InChIKeyJWJKIJUXDUSISV-UHFFFAOYSA-N
MW294.04 g/mol
LogP2.69
Rot. Bonds2

About 2-[6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile

2-[6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile (PubChem CID 118848604) has the molecular formula C8H5F2IN2 and a molecular weight of 294.04 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
PubChem CID118848604
Molecular FormulaC8H5F2IN2
Molecular Weight294.04 g/mol
Exact Mass293.95
IUPAC Name2-[6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(C(F)F)cc1I
InChIInChI=1S/C8H5F2IN2/c9-8(10)7-3-6(11)5(1-2-12)4-13-7/h3-4,8H,1H2
InChIKeyJWJKIJUXDUSISV-UHFFFAOYSA-N
XLogP2.69
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.04
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[6-(difluoromethyl)-4-iodo-3-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-[2-(difluoromethyl)-5-nitro-4-pyridinyl]acetonitrile
CID 118803712
2-[5-amino-6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
CID 130105418
2-[6-(difluoromethyl)-2-fluoro-3-iodo-4-pyridinyl]acetonitrile
CID 130080144
5-(cyanomethyl)-4-(difluoromethyl)-3-iodopyridine-2-carbonitrile
CID 130077459
2-[5-chloro-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130073247
5-bromo-2-(difluoromethyl)-4-iodopyridine
CID 130095026
2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099368
2-[2-(aminomethyl)-6-(difluoromethyl)-3-iodo-4-pyridinyl]acetonitrile
CID 118842695
2-[3-(bromomethyl)-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
CID 130087094
2-[6-bromo-2-(difluoromethyl)-5-iodo-3-pyridinyl]acetonitrile
CID 130068327
2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099030
2-[6-amino-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 118990572

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile (CID 118848604) is 2-[6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile is N#CCc1cnc(C(F)F)cc1I.
What is the InChIKey of 2-[6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile?
The InChIKey is JWJKIJUXDUSISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2IN2/c9-8(10)7-3-6(11)5(1-2-12)4-13-7/h3-4,8H,1H2.
What are the key properties of 2-[6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile?
2-[6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile has a molecular weight of 294.04 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile is sourced from PubChem (CID 118848604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).