5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile

C7H3F3IN3O — CID 131624819

IUPAC5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(I)c(N)c1OC(F)(F)F
InChIInChI=1S/C7H3F3IN3O/c8-7(9,10)15-5-3(1-12)2-14-6(11)4(5)13/h2H,13H2
InChIKeyDTWONGWAIBVZQW-UHFFFAOYSA-N
MW329.02 g/mol
LogP2.04
Rot. Bonds1

About 5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile

5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 131624819) has the molecular formula C7H3F3IN3O and a molecular weight of 329.02 g/mol. Its IUPAC name is 5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID131624819
Molecular FormulaC7H3F3IN3O
Molecular Weight329.02 g/mol
Exact Mass328.93
IUPAC Name5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cnc(I)c(N)c1OC(F)(F)F
InChIInChI=1S/C7H3F3IN3O/c8-7(9,10)15-5-3(1-12)2-14-6(11)4(5)13/h2H,13H2
InChIKeyDTWONGWAIBVZQW-UHFFFAOYSA-N
XLogP2.04
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.02
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131600848
6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119000736
6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119021778
4-amino-6-bromo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279573
6-amino-4-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630348
5,6-dibromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133096082
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131463632
2-[4-amino-5-cyano-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118812212
2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118998425
2,4,5-triiodo-3-(trifluoromethoxy)pyridine
CID 130094431
4-fluoro-2-iodo-5-(trifluoromethoxy)pyridin-3-amine
CID 130971510

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile (CID 131624819) is 5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1cnc(I)c(N)c1OC(F)(F)F.
What is the InChIKey of 5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is DTWONGWAIBVZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3IN3O/c8-7(9,10)15-5-3(1-12)2-14-6(11)4(5)13/h2H,13H2.
What are the key properties of 5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile?
5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 329.02 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 131624819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).