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

C7H4F2IN3 — CID 130103258

IUPAC5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile
SMILESN#Cc1c(N)cnc(I)c1C(F)F
InChIInChI=1S/C7H4F2IN3/c8-6(9)5-3(1-11)4(12)2-13-7(5)10/h2,6H,12H2
InChIKeyOJLMJUOVVDWHTE-UHFFFAOYSA-N
MW295.03 g/mol
LogP2.08
Rot. Bonds1

About 5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile

5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile (PubChem CID 130103258) has the molecular formula C7H4F2IN3 and a molecular weight of 295.03 g/mol. Its IUPAC name is 5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile
PubChem CID130103258
Molecular FormulaC7H4F2IN3
Molecular Weight295.03 g/mol
Exact Mass294.94
IUPAC Name5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile
SMILESN#Cc1c(N)cnc(I)c1C(F)F
InChIInChI=1S/C7H4F2IN3/c8-6(9)5-3(1-11)4(12)2-13-7(5)10/h2,6H,12H2
InChIKeyOJLMJUOVVDWHTE-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

5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130101640
4-(difluoromethyl)-2,5-diiodopyridine-3-carbonitrile
CID 130100457
4-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carbonitrile
CID 130075921
3-amino-5-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103257
2-[4-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 118799469
4-(difluoromethyl)-5,6-diiodopyridin-3-amine
CID 130100391
5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine
CID 130105403
5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonamide
CID 130077803
5-(difluoromethyl)-4-fluoro-2-iodopyridine-3-carbonitrile
CID 130075927
5-cyano-4-(difluoromethyl)-6-iodopyridine-3-sulfonyl chloride
CID 130077762
3-(difluoromethyl)-2-fluoro-5-iodopyridine-4-carbonitrile
CID 118799460
5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine
CID 130105277

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile?
The IUPAC name of 5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile (CID 130103258) is 5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile?
The canonical SMILES for 5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile is N#Cc1c(N)cnc(I)c1C(F)F.
What is the InChIKey of 5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile?
The InChIKey is OJLMJUOVVDWHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2IN3/c8-6(9)5-3(1-11)4(12)2-13-7(5)10/h2,6H,12H2.
What are the key properties of 5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile?
5-amino-3-(difluoromethyl)-2-iodopyridine-4-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 5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile is sourced from PubChem (CID 130103258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).