2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile

C8H6F2IN3 — CID 119021329

IUPAC2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)F)c(N)nc1I
InChIInChI=1S/C8H6F2IN3/c9-6(10)5-3-4(1-2-12)7(11)14-8(5)13/h3,6H,1H2,(H2,13,14)
InChIKeyLWGNNUDYERDQBH-UHFFFAOYSA-N
MW309.06 g/mol
LogP2.27
Rot. Bonds2

About 2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile

2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile (PubChem CID 119021329) has the molecular formula C8H6F2IN3 and a molecular weight of 309.06 g/mol. Its IUPAC name is 2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile
PubChem CID119021329
Molecular FormulaC8H6F2IN3
Molecular Weight309.06 g/mol
Exact Mass308.96
IUPAC Name2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile
SMILESN#CCc1cc(C(F)F)c(N)nc1I
InChIInChI=1S/C8H6F2IN3/c9-6(10)5-3-4(1-2-12)7(11)14-8(5)13/h3,6H,1H2,(H2,13,14)
InChIKeyLWGNNUDYERDQBH-UHFFFAOYSA-N
XLogP2.27
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.06
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[6-amino-5-(difluoromethyl)-2-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

3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130077467
2-[6-(difluoromethyl)-5-hydroxy-2-iodo-3-pyridinyl]acetonitrile
CID 118820324
2-[5-(aminomethyl)-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetonitrile
CID 130086873
2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile
CID 119012065
5-chloro-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 119006864
2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119009096
2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile
CID 118997640
2-[2-(difluoromethyl)-5-fluoro-6-iodo-3-pyridinyl]acetonitrile
CID 118837346
[2,6-diamino-5-(difluoromethyl)-3-pyridinyl]methanol
CID 119025183
2-[2-(difluoromethyl)-3-hydroxy-6-iodo-4-pyridinyl]acetonitrile
CID 118837224
3-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 134675594
2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 119005828

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile (CID 119021329) is 2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile is N#CCc1cc(C(F)F)c(N)nc1I.
What is the InChIKey of 2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile?
The InChIKey is LWGNNUDYERDQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2IN3/c9-6(10)5-3-4(1-2-12)7(11)14-8(5)13/h3,6H,1H2,(H2,13,14).
What are the key properties of 2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile?
2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile has a molecular weight of 309.06 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile is sourced from PubChem (CID 119021329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).