2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile

C7H4F2IN3 — CID 118997640

IUPAC2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)cc(I)nc1N
InChIInChI=1S/C7H4F2IN3/c8-6(9)3-1-5(10)13-7(12)4(3)2-11/h1,6H,(H2,12,13)
InChIKeyWVFNFUGFPAFPEF-UHFFFAOYSA-N
MW295.03 g/mol
LogP2.08
Rot. Bonds1

About 2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile

2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile (PubChem CID 118997640) has the molecular formula C7H4F2IN3 and a molecular weight of 295.03 g/mol. Its IUPAC name is 2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile
PubChem CID118997640
Molecular FormulaC7H4F2IN3
Molecular Weight295.03 g/mol
Exact Mass294.94
IUPAC Name2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)cc(I)nc1N
InChIInChI=1S/C7H4F2IN3/c8-6(9)3-1-5(10)13-7(12)4(3)2-11/h1,6H,(H2,12,13)
InChIKeyWVFNFUGFPAFPEF-UHFFFAOYSA-N
XLogP2.08
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.03
LogP ≤ 52.08
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'}

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Related Compounds

4-(difluoromethyl)-6-iodo-3-(trifluoromethyl)pyridin-2-amine
CID 119019065
4-bromo-2-(difluoromethyl)-6-iodopyridine-3-carbonitrile
CID 118817239
2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile
CID 119021329
ethyl 6-amino-5-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134664578
5-(difluoromethyl)-6-iodopyridine-2,3-diamine
CID 118990847
4-(difluoromethyl)-2-fluoro-6-iodopyridin-3-amine
CID 130103860
3-amino-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103257
6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130103415
4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile
CID 130099594
6-amino-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 119004899
2-amino-6-(difluoromethyl)-4-methylpyridine-3-carbonitrile
CID 130103307
2-[2-cyano-4-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 119000555

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile (CID 118997640) is 2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile is N#Cc1c(C(F)F)cc(I)nc1N.
What is the InChIKey of 2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile?
The InChIKey is WVFNFUGFPAFPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2IN3/c8-6(9)3-1-5(10)13-7(12)4(3)2-11/h1,6H,(H2,12,13).
What are the key properties of 2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile?
2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile has a molecular weight of 295.03 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(difluoromethyl)-6-iodopyridine-3-carbonitrile is sourced from PubChem (CID 118997640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).