2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile

C7H2F3IN2O — CID 90656956

IUPAC2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1cc(I)ncc1OC(F)(F)F
InChIInChI=1S/C7H2F3IN2O/c8-7(9,10)14-5-3-13-6(11)1-4(5)2-12/h1,3H
InChIKeyQNDQAHDQMLEJNZ-UHFFFAOYSA-N
MW314.00 g/mol
LogP2.46
Rot. Bonds1

About 2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile

2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile (PubChem CID 90656956) has the molecular formula C7H2F3IN2O and a molecular weight of 314.00 g/mol. Its IUPAC name is 2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile
PubChem CID90656956
Molecular FormulaC7H2F3IN2O
Molecular Weight314.00 g/mol
Exact Mass313.92
IUPAC Name2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1cc(I)ncc1OC(F)(F)F
InChIInChI=1S/C7H2F3IN2O/c8-7(9,10)14-5-3-13-6(11)1-4(5)2-12/h1,3H
InChIKeyQNDQAHDQMLEJNZ-UHFFFAOYSA-N
XLogP2.46
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.00
LogP ≤ 52.46
H-Bond Donors ≤ 50
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

2-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 133095709
5-iodo-2-(trifluoromethoxy)benzonitrile
CID 121228614
6-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119023064
4-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118804853
5-iodo-3-(trifluoromethoxy)pyridin-2-amine
CID 118999866
4-(2-bromoacetyl)-2-(trifluoromethoxy)benzonitrile
CID 171028569
6-amino-2-(cyanomethyl)-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118994523
5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624819
4-cyano-3-(trifluoromethoxy)benzoyl chloride
CID 171028559
methyl 3-cyano-4-iodo-5-(trifluoromethoxy)benzoate
CID 134649634
2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119004128
4-(bromomethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 130091879

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile (CID 90656956) is 2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile is N#Cc1cc(I)ncc1OC(F)(F)F.
What is the InChIKey of 2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is QNDQAHDQMLEJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3IN2O/c8-7(9,10)14-5-3-13-6(11)1-4(5)2-12/h1,3H.
What are the key properties of 2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile?
2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile has a molecular weight of 314.00 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(trifluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 90656956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).