5-(difluoromethyl)-6-iodopyridine-2,3-diamine

C6H6F2IN3 — CID 118990847

IUPAC5-(difluoromethyl)-6-iodopyridine-2,3-diamine
SMILESNc1cc(C(F)F)c(I)nc1N
InChIInChI=1S/C6H6F2IN3/c7-4(8)2-1-3(10)6(11)12-5(2)9/h1,4H,10H2,(H2,11,12)
InChIKeyJNWWYJKSJBVVJX-UHFFFAOYSA-N
MW285.04 g/mol
LogP1.79
Rot. Bonds1

About 5-(difluoromethyl)-6-iodopyridine-2,3-diamine

5-(difluoromethyl)-6-iodopyridine-2,3-diamine (PubChem CID 118990847) has the molecular formula C6H6F2IN3 and a molecular weight of 285.04 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-iodopyridine-2,3-diamine.

Molecular Properties

Compound Name5-(difluoromethyl)-6-iodopyridine-2,3-diamine
PubChem CID118990847
Molecular FormulaC6H6F2IN3
Molecular Weight285.04 g/mol
Exact Mass284.96
IUPAC Name5-(difluoromethyl)-6-iodopyridine-2,3-diamine
SMILESNc1cc(C(F)F)c(I)nc1N
InChIInChI=1S/C6H6F2IN3/c7-4(8)2-1-3(10)6(11)12-5(2)9/h1,4H,10H2,(H2,11,12)
InChIKeyJNWWYJKSJBVVJX-UHFFFAOYSA-N
XLogP1.79
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.04
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
CID 118999966
2-amino-5-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 119020796
5-(difluoromethyl)-6-methylpyridine-2,3-diamine
CID 119002559
5-chloro-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 119006864
3-(difluoromethyl)-6-iodo-5-nitropyridin-2-amine
CID 118997575
4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
CID 119019065
4-(difluoromethyl)-2-fluoro-6-iodopyridin-3-amine
CID 130103860
2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile
CID 118997640
3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine
CID 119022211
6-bromo-3-(difluoromethyl)pyridine-2,5-diamine
CID 119017284
2-chloro-5-(difluoromethyl)-3,6-diiodopyridine
CID 119016317
4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide
CID 118806851

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-iodopyridine-2,3-diamine?
The IUPAC name of 5-(difluoromethyl)-6-iodopyridine-2,3-diamine (CID 118990847) is 5-(difluoromethyl)-6-iodopyridine-2,3-diamine.
What is the SMILES notation for 5-(difluoromethyl)-6-iodopyridine-2,3-diamine?
The canonical SMILES for 5-(difluoromethyl)-6-iodopyridine-2,3-diamine is Nc1cc(C(F)F)c(I)nc1N.
What is the InChIKey of 5-(difluoromethyl)-6-iodopyridine-2,3-diamine?
The InChIKey is JNWWYJKSJBVVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2IN3/c7-4(8)2-1-3(10)6(11)12-5(2)9/h1,4H,10H2,(H2,11,12).
What are the key properties of 5-(difluoromethyl)-6-iodopyridine-2,3-diamine?
5-(difluoromethyl)-6-iodopyridine-2,3-diamine has a molecular weight of 285.04 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-iodopyridine-2,3-diamine is sourced from PubChem (CID 118990847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).