5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde

C8H6F3IN2O2 — CID 134661449

IUPAC5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESNCc1c(I)ncc(C=O)c1OC(F)(F)F
InChIInChI=1S/C8H6F3IN2O2/c9-8(10,11)16-6-4(3-15)2-14-7(12)5(6)1-13/h2-3H,1,13H2
InChIKeyVHEMEVHGYJBNNV-UHFFFAOYSA-N
MW346.05 g/mol
LogP1.86
Rot. Bonds3

About 5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde

5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 134661449) has the molecular formula C8H6F3IN2O2 and a molecular weight of 346.05 g/mol. Its IUPAC name is 5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID134661449
Molecular FormulaC8H6F3IN2O2
Molecular Weight346.05 g/mol
Exact Mass345.94
IUPAC Name5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESNCc1c(I)ncc(C=O)c1OC(F)(F)F
InChIInChI=1S/C8H6F3IN2O2/c9-8(10,11)16-6-4(3-15)2-14-7(12)5(6)1-13/h2-3H,1,13H2
InChIKeyVHEMEVHGYJBNNV-UHFFFAOYSA-N
XLogP1.86
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.05
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-iodo-5-methyl-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130112973
methyl 2-[5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668820
6-(bromomethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130113178
5-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134661619
6-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118809518
4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134666863
5-(bromomethyl)-6-methoxy-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134672122
methyl 2-[5-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134659206
3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
CID 118993609
4-(aminomethyl)-2-iodo-5-(trifluoromethoxy)pyridin-3-amine
CID 131612340
methyl 5-(fluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134680047
4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134666348

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 134661449) is 5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde is NCc1c(I)ncc(C=O)c1OC(F)(F)F.
What is the InChIKey of 5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is VHEMEVHGYJBNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3IN2O2/c9-8(10,11)16-6-4(3-15)2-14-7(12)5(6)1-13/h2-3H,1,13H2.
What are the key properties of 5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde?
5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde has a molecular weight of 346.05 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 134661449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).