2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile

C8H6F2IN3 — CID 118831357

IUPAC2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile
SMILESN#Cc1cc(I)c(C(F)F)nc1CN
InChIInChI=1S/C8H6F2IN3/c9-8(10)7-5(11)1-4(2-12)6(3-13)14-7/h1,8H,3,13H2
InChIKeyQRAYEKHOIRHSNK-UHFFFAOYSA-N
MW309.06 g/mol
LogP1.95
Rot. Bonds2

About 2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile

2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile (PubChem CID 118831357) has the molecular formula C8H6F2IN3 and a molecular weight of 309.06 g/mol. Its IUPAC name is 2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile
PubChem CID118831357
Molecular FormulaC8H6F2IN3
Molecular Weight309.06 g/mol
Exact Mass308.96
IUPAC Name2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile
SMILESN#Cc1cc(I)c(C(F)F)nc1CN
InChIInChI=1S/C8H6F2IN3/c9-8(10)7-5(11)1-4(2-12)6(3-13)14-7/h1,8H,3,13H2
InChIKeyQRAYEKHOIRHSNK-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile 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

6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118814384
6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118825680
6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118803246
6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118808652
3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonamide
CID 130077820
6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119004899
2-(aminomethyl)-6-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118825834
3-cyano-6-(difluoromethyl)-5-iodopyridine-2-sulfonyl chloride
CID 130077780
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridin-3-ol
CID 118848322
6-bromo-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119008379
2-(aminomethyl)-6-(difluoromethyl)pyridine-3-carbonitrile
CID 118831350
[5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118814520

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile?
The IUPAC name of 2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile (CID 118831357) is 2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile?
The canonical SMILES for 2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile is N#Cc1cc(I)c(C(F)F)nc1CN.
What is the InChIKey of 2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile?
The InChIKey is QRAYEKHOIRHSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2IN3/c9-8(10)7-5(11)1-4(2-12)6(3-13)14-7/h1,8H,3,13H2.
What are the key properties of 2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile?
2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile has a molecular weight of 309.06 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-(difluoromethyl)-5-iodopyridine-3-carbonitrile is sourced from PubChem (CID 118831357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).