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

C7H3F3IN3O — CID 119025125

IUPAC2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1c(I)cnc(N)c1OC(F)(F)F
InChIInChI=1S/C7H3F3IN3O/c8-7(9,10)15-5-3(1-12)4(11)2-14-6(5)13/h2H,(H2,13,14)
InChIKeyVBRYXEAFOIMLFI-UHFFFAOYSA-N
MW329.02 g/mol
LogP2.04
Rot. Bonds1

About 2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile

2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile (PubChem CID 119025125) has the molecular formula C7H3F3IN3O and a molecular weight of 329.02 g/mol. Its IUPAC name is 2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
PubChem CID119025125
Molecular FormulaC7H3F3IN3O
Molecular Weight329.02 g/mol
Exact Mass328.93
IUPAC Name2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1c(I)cnc(N)c1OC(F)(F)F
InChIInChI=1S/C7H3F3IN3O/c8-7(9,10)15-5-3(1-12)4(11)2-14-6(5)13/h2H,(H2,13,14)
InChIKeyVBRYXEAFOIMLFI-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119011895
2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118996877
2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119020973
4,5-diiodo-2-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095491
3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
CID 118993609
6-amino-4-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630348
5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279556
6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119000736
5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624819
6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119021778
4-iodo-3-(trifluoromethoxy)pyridin-2-amine
CID 119014421
2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119004128

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile (CID 119025125) is 2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile is N#Cc1c(I)cnc(N)c1OC(F)(F)F.
What is the InChIKey of 2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is VBRYXEAFOIMLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3IN3O/c8-7(9,10)15-5-3(1-12)4(11)2-14-6(5)13/h2H,(H2,13,14).
What are the key properties of 2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile?
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-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 2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 119025125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).