4-iodo-3-(trifluoromethyl)pyridine-2-carbonitrile

C7H2F3IN2 — CID 118810553

IUPAC4-iodo-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nccc(I)c1C(F)(F)F
InChIInChI=1S/C7H2F3IN2/c8-7(9,10)6-4(11)1-2-13-5(6)3-12/h1-2H
InChIKeyDMTNAZGKCOJPQH-UHFFFAOYSA-N
MW298.00 g/mol
LogP2.58
Rot. Bonds

About 4-iodo-3-(trifluoromethyl)pyridine-2-carbonitrile

4-iodo-3-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 118810553) has the molecular formula C7H2F3IN2 and a molecular weight of 298.00 g/mol. Its IUPAC name is 4-iodo-3-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-iodo-3-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID118810553
Molecular FormulaC7H2F3IN2
Molecular Weight298.00 g/mol
Exact Mass297.92
IUPAC Name4-iodo-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nccc(I)c1C(F)(F)F
InChIInChI=1S/C7H2F3IN2/c8-7(9,10)6-4(11)1-2-13-5(6)3-12/h1-2H
InChIKeyDMTNAZGKCOJPQH-UHFFFAOYSA-N
XLogP2.58
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.00
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-iodo-3-(trifluoromethyl)pyridine-2-carbonitrile (CID 118810553) is 4-iodo-3-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-iodo-3-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-iodo-3-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1nccc(I)c1C(F)(F)F.
What is the InChIKey of 4-iodo-3-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is DMTNAZGKCOJPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3IN2/c8-7(9,10)6-4(11)1-2-13-5(6)3-12/h1-2H.
What are the key properties of 4-iodo-3-(trifluoromethyl)pyridine-2-carbonitrile?
4-iodo-3-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 298.00 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 118810553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).